CID 29872

2-amino-4-chlorobenzothiazole

Structural Information

Molecular Formula

C₇H₅ClN₂S

SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)N

InChI

InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)

InChIKey

OEQQFQXMCPMEIH-UHFFFAOYSA-N

Compound name

4-chloro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 590
Patents: 183.98619 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]+	184.99347	132.0
[M+Na]+	206.97541	146.4
[M+NH4]+	202.02001	142.6
[M+K]+	222.94935	138.6
[M-H]-	182.97891	135.4
[M+Na-2H]-	204.96086	139.2
[M]+	183.98564	135.8
[M]-	183.98674	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe