CID 18525748

852180-73-5

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: 58
Patents: 272.9685 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.97578	158.8
[M+Na]+	295.95772	172.1
[M+NH4]+	291.00232	167.6
[M+K]+	311.93166	163.2
[M-H]-	271.96122	161.6
[M+Na-2H]-	293.94317	165.2
[M]+	272.96795	162.8
[M]-	272.96905	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe