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
2
Annotation Hits

0
References

12
Patents

261.95346 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.960736 137.5
[M+Na]+ 284.942678 146.2
[M-H]- 260.946184 128.0
[M+NH4]+ 279.987283 153.1
[M+K]+ 300.916618 143.4
[M+H-H2O]+ 244.950720 128.0
[M+HCOO]- 306.951661 142.3
[M+CH3COO]- 320.967311 187.2
[M+Na-2H]- 282.928126 138.5
[M]+ 261.95291142 128.2
[M]- 261.95400858 128.2
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

patents stripe