CID 2095675

110704-38-6

Structural Information

Molecular Formula

C₁₀H₈ClNS

SMILES

C1=CC=C(C=C1)C2=NC=C(S2)CCl

InChI

InChI=1S/C10H8ClNS/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey

JIOYGVBKFKVRAZ-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-2-phenyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 209.00659 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]+	210.01387	141.9
[M+Na]+	231.99581	157.1
[M+NH4]+	227.04041	152.6
[M+K]+	247.96975	148.0
[M-H]-	207.99931	146.6
[M+Na-2H]-	229.98126	151.1
[M]+	209.00604	146.3
[M]-	209.00714	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe