CID 59736185

Pfsa-h; c4h2f8o3s

Structural Information

Molecular Formula
C4H2F8O3S
SMILES
C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4H2F8O3S/c5-1(3(8,9)10)2(6,7)4(11,12)16(13,14)15/h1H,(H,13,14,15)
InChIKey
GUDBAXWOSFMPDL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

281.9597 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96698 141.8
[M+Na]+ 304.94892 150.6
[M-H]- 280.95242 131.2
[M+NH4]+ 299.99352 156.5
[M+K]+ 320.92286 148.2
[M+H-H2O]+ 264.95696 131.7
[M+HCOO]- 326.95790 144.9
[M+CH3COO]- 340.97355 191.7
[M+Na-2H]- 302.93437 144.5
[M]+ 281.95915 131.8
[M]- 281.96025 131.8
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.