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: 3
Patents: 240.92703 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.934306	145.9
[M+Na]+	263.916248	155.9
[M-H]-	239.919754	148.6
[M+NH4]+	258.960853	165.3
[M+K]+	279.890188	150.6
[M+H-H2O]+	223.924290	142.5
[M+HCOO]-	285.925231	154.3
[M+CH3COO]-	299.940881	182.8
[M+Na-2H]-	261.901696	145.9
[M]+	240.92648142	149.2
[M]-	240.92757858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe