CID 165690980

1-(fluorosulfonyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C5H8FNO4S
SMILES
C1CN(CC1C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C5H8FNO4S/c6-12(10,11)7-2-1-4(3-7)5(8)9/h4H,1-3H2,(H,8,9)
InChIKey
ZWQJWUVTIAWRGN-UHFFFAOYSA-N
Compound name
1-fluorosulfonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.01581 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.023086 136.7
[M+Na]+ 220.005028 144.9
[M-H]- 196.008534 136.6
[M+NH4]+ 215.049633 156.1
[M+K]+ 235.978968 143.4
[M+H-H2O]+ 180.013070 131.1
[M+HCOO]- 242.014011 150.2
[M+CH3COO]- 256.029661 174.6
[M+Na-2H]- 217.990476 137.6
[M]+ 197.01526142 135.8
[M]- 197.01635858 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.