Dtxsid501026569 (C14H2F24O2)

Structural Information

Molecular Formula

SMILES

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)C(=O)O

InChI

InChI=1S/C14H2F24O2/c15-2(1-3(39)40)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h1H,(H,39,40)

InChIKey

HIEXNORFRSKMTO-UHFFFAOYSA-N

Compound name

3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradec-2-enoic acid

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]+	658.974436	191.8
[M+Na]+	680.956378	195.9
[M-H]-	656.959884	203.9
[M+NH4]+	676.000983	204.2
[M+K]+	696.930318	209.0
[M+H-H2O]+	640.964420	179.4
[M+HCOO]-	702.965361	206.5
[M+CH3COO]-	716.981011	255.9
[M+Na-2H]-	678.941826	192.6
[M]+	657.96661142	188.8
[M]-	657.96770858	188.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

658.974436

191.8

[M+Na]+

680.956378

195.9

[M-H]-

656.959884

203.9

[M+NH4]+

676.000983

204.2

[M+K]+

696.930318

209.0

[M+H-H2O]+

640.964420

179.4

[M+HCOO]-

702.965361

206.5

[M+CH3COO]-

716.981011

255.9

[M+Na-2H]-

678.941826

192.6

[M]+

657.96661142

188.8

[M]-

657.96770858

188.8

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

Dtxsid501026569

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe