CID 121514198

4-(fluorosulfonyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C5H4FNO4S
SMILES
C1=C(NC=C1S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C5H4FNO4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKey
XGGFVGUPVFBXGH-UHFFFAOYSA-N
Compound name
4-fluorosulfonyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.98451 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.991786 134.1
[M+Na]+ 215.973728 143.9
[M-H]- 191.977234 133.4
[M+NH4]+ 211.018333 153.1
[M+K]+ 231.947668 141.0
[M+H-H2O]+ 175.981770 128.6
[M+HCOO]- 237.982711 148.9
[M+CH3COO]- 251.998361 171.3
[M+Na-2H]- 213.959176 136.3
[M]+ 192.98396142 134.0
[M]- 192.98505858 134.0
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.