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

17
Patents

227.98796 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.995236 136.1
[M+Na]+ 250.977178 145.0
[M-H]- 226.980684 129.0
[M+NH4]+ 246.021783 153.5
[M+K]+ 266.951118 142.6
[M+H-H2O]+ 210.985220 128.2
[M+HCOO]- 272.986161 144.8
[M+CH3COO]- 287.001811 181.3
[M+Na-2H]- 248.962626 140.1
[M]+ 227.98741142 131.5
[M]- 227.98850858 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