CID 602107

54747-64-7

Structural Information

Molecular Formula

C₈H₆ClNS₂

SMILES

C1=CSC=C1C2=NC(=CS2)CCl

InChI

InChI=1S/C8H6ClNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2

InChIKey

APIQUDKCQIGCKQ-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 214.96301 Da
Monoisotopic Mass: 2.7
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]+	215.97029	142.0
[M+Na]+	237.95223	155.7
[M+NH4]+	232.99683	152.9
[M+K]+	253.92617	147.1
[M-H]-	213.95573	146.3
[M+Na-2H]-	235.93768	149.2
[M]+	214.96246	146.5
[M]-	214.96356	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe