Dtxsid20896684 (C14H2F26)

Structural Information

Molecular Formula

SMILES

C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\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

InChI

InChI=1S/C14H2F26/c15-3(16,1-2-4(17,18)6(21,22)11(31,32)13(35,36)37)5(19,20)7(23,24)8(25,26)9(27,28)10(29,30)12(33,34)14(38,39)40/h1-2H/b2-1+

InChIKey

FFKSEFSHRPFWNW-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-5-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]+	664.981376	190.5
[M+Na]+	686.963318	194.7
[M-H]-	662.966824	200.3
[M+NH4]+	682.007923	201.7
[M+K]+	702.937258	208.1
[M+H-H2O]+	646.971360	177.8
[M+HCOO]-	708.972301	209.2
[M+CH3COO]-	722.987951	258.2
[M+Na-2H]-	684.948766	192.5
[M]+	663.97355142	188.1
[M]-	663.97464858	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

664.981376

190.5

[M+Na]+

686.963318

194.7

[M-H]-

662.966824

200.3

[M+NH4]+

682.007923

201.7

[M+K]+

702.937258

208.1

[M+H-H2O]+

646.971360

177.8

[M+HCOO]-

708.972301

209.2

[M+CH3COO]-

722.987951

258.2

[M+Na-2H]-

684.948766

192.5

[M]+

663.97355142

188.1

[M]-

663.97464858

188.1

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

Dtxsid20896684

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe