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 136.1
[M+Na]+ 204.99413 143.1
[M+NH4]+ 200.03873 145.0
[M+K]+ 220.96807 136.4
[M-H]- 180.99763 133.2
[M+Na-2H]- 202.97958 140.4
[M]+ 182.00436 136.5
[M]- 182.00546 136.5
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

No patent data available for this compound.