CID 30121

20358-01-4

Structural Information

Molecular Formula

C₇H₅ClN₂S

SMILES

C1=CC2=C(C(=C1)Cl)SC(=N2)N

InChI

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

InChIKey

QLMIQSNEKFGKFN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 16
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	131.7
[M+Na]+	206.97541	144.8
[M-H]-	182.97891	135.9
[M+NH4]+	202.02001	154.9
[M+K]+	222.94935	139.5
[M+H-H2O]+	166.98345	127.2
[M+HCOO]-	228.98439	148.4
[M+CH3COO]-	243.00004	146.7
[M+Na-2H]-	204.96086	136.9
[M]+	183.98564	135.8
[M]-	183.98674	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe