CID 84768658

3-fluoro-1,1-dioxo-1lambda6-thiolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H7FO4S
SMILES
C1CS(=O)(=O)CC1(C(=O)O)F
InChI
InChI=1S/C5H7FO4S/c6-5(4(7)8)1-2-11(9,10)3-5/h1-3H2,(H,7,8)
InChIKey
PNGVBYRYXMAKKG-UHFFFAOYSA-N
Compound name
3-fluoro-1,1-dioxothiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.00491 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01219 129.6
[M+Na]+ 204.99413 139.0
[M-H]- 180.99763 131.1
[M+NH4]+ 200.03873 154.7
[M+K]+ 220.96807 137.6
[M+H-H2O]+ 165.00217 126.6
[M+HCOO]- 227.00311 145.7
[M+CH3COO]- 241.01876 171.0
[M+Na-2H]- 202.97958 133.1
[M]+ 182.00436 129.6
[M]- 182.00546 129.6
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.