CID 22376723

3-trifluoromethanesulfonylpropanoic acid

Structural Information

Molecular Formula
C4H5F3O4S
SMILES
C(CS(=O)(=O)C(F)(F)F)C(=O)O
InChI
InChI=1S/C4H5F3O4S/c5-4(6,7)12(10,11)2-1-3(8)9/h1-2H2,(H,8,9)
InChIKey
OIKOBHGDCJOQTF-UHFFFAOYSA-N
Compound name
3-(trifluoromethylsulfonyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.98607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99335 146.1
[M+Na]+ 228.97529 150.7
[M+NH4]+ 224.01989 149.1
[M+K]+ 244.94923 147.6
[M-H]- 204.97879 137.8
[M+Na-2H]- 226.96074 144.7
[M]+ 205.98552 144.2
[M]- 205.98662 144.2
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

No patent data available for this compound.