CID 18525748

4-(2-methyl-thiazol-4-yl)-benzenesulfonyl chloride

Structural Information

Molecular Formula
C10H8ClNO2S2
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO2S2/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3
InChIKey
JNGQNRAIASLBQA-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

272.9685 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.975776 156.5
[M+Na]+ 295.957718 168.7
[M-H]- 271.961224 163.4
[M+NH4]+ 291.002323 175.4
[M+K]+ 311.931658 162.6
[M+H-H2O]+ 255.965760 151.7
[M+HCOO]- 317.966701 165.9
[M+CH3COO]- 331.982351 189.9
[M+Na-2H]- 293.943166 157.6
[M]+ 272.96795142 162.3
[M]- 272.96904858 162.3
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