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

95
Patents

211.9481 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.955376 139.8
[M+Na]+ 234.937318 151.5
[M-H]- 210.940824 142.9
[M+NH4]+ 229.981923 160.3
[M+K]+ 250.911258 146.5
[M+H-H2O]+ 194.945360 135.7
[M+HCOO]- 256.946301 149.2
[M+CH3COO]- 270.961951 180.7
[M+Na-2H]- 232.922766 140.6
[M]+ 211.94755142 143.4
[M]- 211.94864858 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