Ns00104109 (C17H2F32)

Structural Information

Molecular Formula

SMILES

C=C(C(C(C(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)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C17H2F32/c1-2(18)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)49/h1H2

InChIKey

XWMVLKWAYLXSDM-UHFFFAOYSA-N

Compound name

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-dotriacontafluoroheptadec-1-ene

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]+	814.971816	217.3
[M+Na]+	836.953758	220.1
[M-H]-	812.957264	229.5
[M+NH4]+	831.998363	229.6
[M+K]+	852.927698	235.7
[M+H-H2O]+	796.961800	204.6
[M+HCOO]-	858.962741	231.8
[M+CH3COO]-	872.978391	270.6
[M+Na-2H]-	834.939206	220.4
[M]+	813.96399142	213.7
[M]-	813.96508858	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

814.971816

217.3

[M+Na]+

836.953758

220.1

[M-H]-

812.957264

229.5

[M+NH4]+

831.998363

229.6

[M+K]+

852.927698

235.7

[M+H-H2O]+

796.961800

204.6

[M+HCOO]-

858.962741

231.8

[M+CH3COO]-

872.978391

270.6

[M+Na-2H]-

834.939206

220.4

[M]+

813.96399142

213.7

[M]-

813.96508858

213.7

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

Ns00104109

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe