CID 43217723

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

Structural Information

Molecular Formula
C5H4ClNO4S
SMILES
C1=C(NC=C1S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C5H4ClNO4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKey
ALUJALXDRRFASD-UHFFFAOYSA-N
Compound name
4-chlorosulfonyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.95496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96224 137.8
[M+Na]+ 231.94418 148.1
[M-H]- 207.94768 138.6
[M+NH4]+ 226.98878 157.0
[M+K]+ 247.91812 143.9
[M+H-H2O]+ 191.95222 134.1
[M+HCOO]- 253.95316 149.1
[M+CH3COO]- 267.96881 172.5
[M+Na-2H]- 229.92963 140.1
[M]+ 208.95441 140.5
[M]- 208.95551 140.5
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

patents stripe