CID 12094251

2-chloro-4-methylthiazole-5-sulfonamide

Structural Information

Molecular Formula

C₄H₅ClN₂O₂S₂

SMILES

CC1=C(SC(=N1)Cl)S(=O)(=O)N

InChI

InChI=1S/C4H5ClN2O2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3,(H2,6,8,9)

InChIKey

DJJSIXFBKIFPGR-UHFFFAOYSA-N

Compound name

2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 211.9481 Da
Monoisotopic Mass: 1.2
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]+	212.95538	144.1
[M+Na]+	234.93732	153.9
[M+NH4]+	229.98192	151.9
[M+K]+	250.91126	147.5
[M-H]-	210.94082	144.2
[M+Na-2H]-	232.92277	146.8
[M]+	211.94755	146.5
[M]-	211.94865	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe