CID 73011349

98273-04-2

Structural Information

Molecular Formula

C₇H₅ClN₂OS

SMILES

C1=CC(=C2C(=C1O)N=C(S2)N)Cl

InChI

InChI=1S/C7H5ClN2OS/c8-3-1-2-4(11)5-6(3)12-7(9)10-5/h1-2,11H,(H2,9,10)

InChIKey

VGVGECBOPBNZJS-UHFFFAOYSA-N

Compound name

2-amino-7-chloro-1,3-benzothiazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.98111 Da
Monoisotopic Mass: 2.3
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]+	200.98839	135.0
[M+Na]+	222.97033	148.3
[M-H]-	198.97383	138.2
[M+NH4]+	218.01493	157.0
[M+K]+	238.94427	142.6
[M+H-H2O]+	182.97837	131.0
[M+HCOO]-	244.97931	150.4
[M+CH3COO]-	258.99496	149.5
[M+Na-2H]-	220.95578	139.3
[M]+	199.98056	139.1
[M]-	199.98166	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe