CID 95751

6265-90-3

Structural Information

Molecular Formula

C₁₃H₇Cl₂NS

SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C13H7Cl2NS/c14-8-5-6-9(10(15)7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H

InChIKey

SABOIDWKSNXFRI-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 278.96762 Da
Monoisotopic Mass: 5.5
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]+	279.97490	156.2
[M+Na]+	301.95684	170.2
[M-H]-	277.96034	163.3
[M+NH4]+	297.00144	176.4
[M+K]+	317.93078	162.6
[M+H-H2O]+	261.96488	150.9
[M+HCOO]-	323.96582	166.9
[M+CH3COO]-	337.98147	169.9
[M+Na-2H]-	299.94229	159.5
[M]+	278.96707	163.2
[M]-	278.96817	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe