PubChemLite - 1-tetradecanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro- (C14H4ClF25O2S)

Structural Information

Molecular Formula

SMILES

C(CS(=O)(=O)Cl)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H4ClF25O2S/c15-43(41,42)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)40/h1-2H2

InChIKey

OWNXTVBJQHTUHT-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecane-1-sulfonyl chloride

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	746.92938	200.8
[M+Na]+	768.91132	203.1
[M-H]-	744.91482	211.4
[M+NH4]+	763.95592	213.5
[M+K]+	784.88526	218.2
[M+H-H2O]+	728.91936	187.3
[M+HCOO]-	790.92030	219.1
[M+CH3COO]-	804.93595	263.2
[M+Na-2H]-	766.89677	201.7
[M]+	745.92155	203.6
[M]-	745.92265	203.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

746.92938

200.8

[M+Na]+

768.91132

203.1

[M-H]-

744.91482

211.4

[M+NH4]+

763.95592

213.5

[M+K]+

784.88526

218.2

[M+H-H2O]+

728.91936

187.3

[M+HCOO]-

790.92030

219.1

[M+CH3COO]-

804.93595

263.2

[M+Na-2H]-

766.89677

201.7

[M]+

745.92155

203.6

[M]-

745.92265

203.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-tetradecanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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