CID 32206

24072-75-1

Structural Information

Molecular Formula

C₇H₄Cl₂N₂S

SMILES

C1=C2C(=CC(=C1Cl)Cl)SC(=N2)N

InChI

InChI=1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)

InChIKey

GHKHTBMTSUEBJD-UHFFFAOYSA-N

Compound name

5,6-dichloro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 291
Patents: 217.94722 Da
Monoisotopic Mass: 3.3
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]+	218.954496	138.9
[M+Na]+	240.936438	152.8
[M-H]-	216.939944	142.7
[M+NH4]+	235.981043	161.2
[M+K]+	256.910378	146.5
[M+H-H2O]+	200.944480	135.2
[M+HCOO]-	262.945421	150.3
[M+CH3COO]-	276.961071	153.2
[M+Na-2H]-	238.921886	142.4
[M]+	217.94667142	144.1
[M]-	217.94776858	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe