CID 139596806

(e)-perfluorohept-5-ene-1-sulfonic acid

Structural Information

Molecular Formula
C7HF13O3S
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C7HF13O3S/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)24(21,22)23/h(H,21,22,23)/b2-1+
InChIKey
QOMQGOOFVHQXKY-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,6,7,7,7-tridecafluorohept-5-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

411.94388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.951156 165.4
[M+Na]+ 434.933098 173.6
[M-H]- 410.936604 149.7
[M+NH4]+ 429.977703 162.9
[M+K]+ 450.907038 170.0
[M+H-H2O]+ 394.941140 151.8
[M+HCOO]- 456.942081 171.5
[M+CH3COO]- 470.957731 215.2
[M+Na-2H]- 432.918546 166.1
[M]+ 411.94333142 146.6
[M]- 411.94442858 146.6
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.