CID 87900531

(e)-perfluorobut-2-ene-1-sulfonic acid

Structural Information

Molecular Formula
C4HF7O3S
SMILES
C(=C(/C(F)(F)S(=O)(=O)O)\F)(\C(F)(F)F)/F
InChI
InChI=1S/C4HF7O3S/c5-1(3(7,8)9)2(6)4(10,11)15(12,13)14/h(H,12,13,14)/b2-1+
InChIKey
URXDZXVKSSRSJY-OWOJBTEDSA-N
Compound name
(E)-1,1,2,3,4,4,4-heptafluorobut-2-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.95346 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96074 174.0
[M+Na]+ 284.94268 174.9
[M+NH4]+ 279.98728 173.7
[M+K]+ 300.91662 172.4
[M-H]- 260.94618 163.8
[M+Na-2H]- 282.92813 170.2
[M]+ 261.95291 170.9
[M]- 261.95401 170.9
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.