CID 165981385

(2s)-1-(fluorosulfonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C5H8FNO4S
SMILES
C1C[C@H](N(C1)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C5H8FNO4S/c6-12(10,11)7-3-1-2-4(7)5(8)9/h4H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKey
GWLBYEJSGOULOD-BYPYZUCNSA-N
Compound name
(2S)-1-fluorosulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.01581 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.02309 136.7
[M+Na]+ 220.00503 144.9
[M-H]- 196.00853 136.6
[M+NH4]+ 215.04963 156.1
[M+K]+ 235.97897 143.4
[M+H-H2O]+ 180.01307 131.1
[M+HCOO]- 242.01401 150.2
[M+CH3COO]- 256.02966 174.6
[M+Na-2H]- 217.99048 137.6
[M]+ 197.01526 135.8
[M]- 197.01636 135.8
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.