CID 85694534

Ft-pfsa; c4h5f5o3s

Structural Information

Molecular Formula
C4H5F5O3S
SMILES
C(CS(=O)(=O)O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H5F5O3S/c5-3(6,4(7,8)9)1-2-13(10,11)12/h1-2H2,(H,10,11,12)
InChIKey
POGJNMOVQNQIGY-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

227.98796 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99524 136.1
[M+Na]+ 250.97718 145.0
[M-H]- 226.98068 129.0
[M+NH4]+ 246.02178 153.5
[M+K]+ 266.95112 142.6
[M+H-H2O]+ 210.98522 128.2
[M+HCOO]- 272.98616 144.8
[M+CH3COO]- 287.00181 181.3
[M+Na-2H]- 248.96263 140.1
[M]+ 227.98741 131.5
[M]- 227.98851 131.5
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