CID 2795490

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

Structural Information

Molecular Formula
C10H8ClNO2S2
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO2S2/c1-7-10(16(11,13)14)15-9(12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
NGDQQLAVJWUYSF-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13522
Patents

272.9685 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.97578 156.5
[M+Na]+ 295.95772 168.7
[M-H]- 271.96122 163.4
[M+NH4]+ 291.00232 175.4
[M+K]+ 311.93166 162.6
[M+H-H2O]+ 255.96576 151.7
[M+HCOO]- 317.96670 165.9
[M+CH3COO]- 331.98235 189.9
[M+Na-2H]- 293.94317 157.6
[M]+ 272.96795 162.3
[M]- 272.96905 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