CID 15560916

66047-76-5

Structural Information

Molecular Formula
C11H10ClNO2S2
SMILES
CC1=C(C=C(C=C1)C2=CSC(=N2)C)S(=O)(=O)Cl
InChI
InChI=1S/C11H10ClNO2S2/c1-7-3-4-9(5-11(7)17(12,14)15)10-6-16-8(2)13-10/h3-6H,1-2H3
InChIKey
KBMVOJVCQBNXAA-UHFFFAOYSA-N
Compound name
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.98416 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.99144 160.3
[M+Na]+ 309.97338 172.7
[M-H]- 285.97688 167.2
[M+NH4]+ 305.01798 178.8
[M+K]+ 325.94732 166.4
[M+H-H2O]+ 269.98142 155.5
[M+HCOO]- 331.98236 169.3
[M+CH3COO]- 345.99801 194.0
[M+Na-2H]- 307.95883 160.3
[M]+ 286.98361 166.7
[M]- 286.98471 166.7
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

No patent data available for this compound.