CID 15586287

51357-79-0

Structural Information

Molecular Formula

C₇H₅ClN₂S

SMILES

C1=CC2=NSC(=C2C=C1Cl)N

InChI

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

InChIKey

MARQFRIVKTVVAD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 183.98619 Da
Monoisotopic Mass: 2.6
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]+	184.993466	131.7
[M+Na]+	206.975408	144.8
[M-H]-	182.978914	135.9
[M+NH4]+	202.020013	154.9
[M+K]+	222.949348	139.5
[M+H-H2O]+	166.983450	127.2
[M+HCOO]-	228.984391	148.4
[M+CH3COO]-	243.000041	146.7
[M+Na-2H]-	204.960856	136.9
[M]+	183.98564142	135.8
[M]-	183.98673858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe