PubChemLite - N:2 ftacr n=12 (C19H11F25O2)

Structural Information

Molecular Formula

SMILES

CC(=C)CC(=O)OCCC(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/C19H11F25O2/c1-6(2)5-7(45)46-4-3-8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)19(42,43)44/h1,3-5H2,2H3

InChIKey

WFOSMMGIRUKKNG-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-pentacosafluorotetradecyl 3-methylbut-3-enoate

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]+	747.04328	214.1
[M+Na]+	769.02522	217.9
[M-H]-	745.02872	226.6
[M+NH4]+	764.06982	228.4
[M+K]+	784.99916	233.0
[M+H-H2O]+	729.03326	201.3
[M+HCOO]-	791.03420	228.4
[M+CH3COO]-	805.04985	268.7
[M+Na-2H]-	767.01067	213.9
[M]+	746.03545	212.5
[M]-	746.03655	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

747.04328

214.1

[M+Na]+

769.02522

217.9

[M-H]-

745.02872

226.6

[M+NH4]+

764.06982

228.4

[M+K]+

784.99916

233.0

[M+H-H2O]+

729.03326

201.3

[M+HCOO]-

791.03420

228.4

[M+CH3COO]-

805.04985

268.7

[M+Na-2H]-

767.01067

213.9

[M]+

746.03545

212.5

[M]-

746.03655

212.5

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

N:2 ftacr n=12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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