CID 2049893

78584-09-5

Structural Information

Molecular Formula

C₈H₇ClN₂S

SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N

InChI

InChI=1S/C8H7ClN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)

InChIKey

KZDLRPCFYGSRNU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 198.00185 Da
Monoisotopic Mass: 3.0
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]+	199.00913	136.9
[M+Na]+	220.99107	151.6
[M+NH4]+	216.03567	147.4
[M+K]+	236.96501	143.7
[M-H]-	196.99457	140.4
[M+Na-2H]-	218.97652	143.7
[M]+	198.00130	140.8
[M]-	198.00240	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe