CID 12094251

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

77
Patents

211.9481 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95538 139.8
[M+Na]+ 234.93732 151.5
[M-H]- 210.94082 142.9
[M+NH4]+ 229.98192 160.3
[M+K]+ 250.91126 146.5
[M+H-H2O]+ 194.94536 135.7
[M+HCOO]- 256.94630 149.2
[M+CH3COO]- 270.96195 180.7
[M+Na-2H]- 232.92277 140.6
[M]+ 211.94755 143.4
[M]- 211.94865 143.4
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