CID 207964

Brn 1101189

Structural Information

Molecular Formula

C₆H₇Cl₂NS

SMILES

CC1=C(SC(=N1)Cl)CCCl

InChI

InChI=1S/C6H7Cl2NS/c1-4-5(2-3-7)10-6(8)9-4/h2-3H2,1H3

InChIKey

QOCBYUYXAYWNIW-UHFFFAOYSA-N

Compound name

2-chloro-5-(2-chloroethyl)-4-methyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 194.96762 Da
Monoisotopic Mass: 3.2
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]+	195.97490	135.7
[M+Na]+	217.95684	147.4
[M-H]-	193.96034	138.4
[M+NH4]+	213.00144	158.0
[M+K]+	233.93078	142.5
[M+H-H2O]+	177.96488	131.8
[M+HCOO]-	239.96582	145.5
[M+CH3COO]-	253.98147	180.0
[M+Na-2H]-	215.94229	136.7
[M]+	194.96707	140.9
[M]-	194.96817	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe