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]+ 193.99179 134.1
[M+Na]+ 215.97373 143.9
[M-H]- 191.97723 133.4
[M+NH4]+ 211.01833 153.1
[M+K]+ 231.94767 141.0
[M+H-H2O]+ 175.98177 128.6
[M+HCOO]- 237.98271 148.9
[M+CH3COO]- 251.99836 171.3
[M+Na-2H]- 213.95918 136.3
[M]+ 192.98396 134.0
[M]- 192.98506 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.