CID 166746869

3-(fluorosulfonyl)propanoic acid

Structural Information

Molecular Formula
C3H5FO4S
SMILES
C(CS(=O)(=O)F)C(=O)O
InChI
InChI=1S/C3H5FO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)
InChIKey
CUHPZZWFBGNHNY-UHFFFAOYSA-N
Compound name
3-fluorosulfonylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.98926 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.996536 124.3
[M+Na]+ 178.978478 132.9
[M-H]- 154.981984 122.5
[M+NH4]+ 174.023083 144.8
[M+K]+ 194.952418 131.7
[M+H-H2O]+ 138.986520 119.4
[M+HCOO]- 200.987461 140.0
[M+CH3COO]- 215.003111 168.5
[M+Na-2H]- 176.963926 128.0
[M]+ 155.98871142 125.9
[M]- 155.98980858 125.9
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