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]+ 412.95116 165.4
[M+Na]+ 434.93310 173.6
[M-H]- 410.93660 149.7
[M+NH4]+ 429.97770 162.9
[M+K]+ 450.90704 170.0
[M+H-H2O]+ 394.94114 151.8
[M+HCOO]- 456.94208 171.5
[M+CH3COO]- 470.95773 215.2
[M+Na-2H]- 432.91855 166.1
[M]+ 411.94333 146.6
[M]- 411.94443 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.