CID 2795490

690632-88-3

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: 9948
Patents: 272.9685 Da
Monoisotopic Mass: 3.4
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]+	273.975776	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe