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

0
Patents

155.98926 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99654 124.3
[M+Na]+ 178.97848 132.9
[M-H]- 154.98198 122.5
[M+NH4]+ 174.02308 144.8
[M+K]+ 194.95242 131.7
[M+H-H2O]+ 138.98652 119.4
[M+HCOO]- 200.98746 140.0
[M+CH3COO]- 215.00311 168.5
[M+Na-2H]- 176.96393 128.0
[M]+ 155.98871 125.9
[M]- 155.98981 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

No patent data available for this compound.