CID 1201498

154064-98-9

Structural Information

Molecular Formula
C5H4ClNO4S2
SMILES
C1=C(SC(=C1C(=O)O)Cl)S(=O)(=O)N
InChI
InChI=1S/C5H4ClNO4S2/c6-4-2(5(8)9)1-3(12-4)13(7,10)11/h1H,(H,8,9)(H2,7,10,11)
InChIKey
AUWCFDJPONYYGM-UHFFFAOYSA-N
Compound name
2-chloro-5-sulfamoylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.92703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.93431 145.9
[M+Na]+ 263.91625 155.9
[M-H]- 239.91975 148.6
[M+NH4]+ 258.96085 165.3
[M+K]+ 279.89019 150.6
[M+H-H2O]+ 223.92429 142.5
[M+HCOO]- 285.92523 154.3
[M+CH3COO]- 299.94088 182.8
[M+Na-2H]- 261.90170 145.9
[M]+ 240.92648 149.2
[M]- 240.92758 149.2
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