CID 132342110

2-chloro-4-phenyl-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H5Cl2NO2S2
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H5Cl2NO2S2/c10-9-12-7(6-4-2-1-3-5-6)8(15-9)16(11,13)14/h1-5H
InChIKey
ZZFUHTLWHHROBN-UHFFFAOYSA-N
Compound name
2-chloro-4-phenyl-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.91388 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.92116 158.5
[M+Na]+ 315.90310 171.0
[M-H]- 291.90660 165.0
[M+NH4]+ 310.94770 176.9
[M+K]+ 331.87704 164.3
[M+H-H2O]+ 275.91114 154.4
[M+HCOO]- 337.91208 163.2
[M+CH3COO]- 351.92773 171.1
[M+Na-2H]- 313.88855 159.3
[M]+ 292.91333 164.6
[M]- 292.91443 164.6
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.