CID 59390289

101253-50-3

Structural Information

Molecular Formula

C₈H₇ClN₂S

SMILES

CC1=NC2=C(S1)C=C(C(=C2)Cl)N

InChI

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

InChIKey

MOWJTBJTHSFSBO-UHFFFAOYSA-N

Compound name

5-chloro-2-methyl-1,3-benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 198.00185 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]+	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

No literature data available for this compound.

Patent stripe

patents stripe