CID 139596497

(e)-6h-perfluoronon-7-ene-1-sulfonic acid

Structural Information

Molecular Formula
C9H2F16O3S
SMILES
C(/C(=C(/C(F)(F)F)\F)/F)(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H2F16O3S/c10-1(3(12)5(15,16)17)2(11)4(13,14)6(18,19)7(20,21)8(22,23)9(24,25)29(26,27)28/h2H,(H,26,27,28)/b3-1+
InChIKey
OVGNQBJVXCUERN-HNQUOIGGSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,7,8,9,9,9-hexadecafluoronon-7-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

493.94693 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.95421 170.0
[M+Na]+ 516.93615 175.4
[M-H]- 492.93965 177.3
[M+NH4]+ 511.98075 180.6
[M+K]+ 532.91009 182.6
[M+H-H2O]+ 476.94419 161.5
[M+HCOO]- 538.94513 183.9
[M+CH3COO]- 552.96078 229.8
[M+Na-2H]- 514.92160 168.7
[M]+ 493.94638 168.5
[M]- 493.94748 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.