CID 96951

2-acetamido-4-methylthiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClN2O3S2
SMILES
CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O3S2/c1-3-5(14(7,11)12)13-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChIKey
NXGKPRKPUCSEIL-UHFFFAOYSA-N
Compound name
2-acetamido-4-methyl-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

649
Patents

253.95866 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96594 150.8
[M+Na]+ 276.94788 161.3
[M-H]- 252.95138 154.2
[M+NH4]+ 271.99248 169.7
[M+K]+ 292.92182 156.6
[M+H-H2O]+ 236.95592 146.4
[M+HCOO]- 298.95686 159.6
[M+CH3COO]- 312.97251 188.6
[M+Na-2H]- 274.93333 151.2
[M]+ 253.95811 156.2
[M]- 253.95921 156.2
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