CID 23289256

163298-73-5

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C(=C1)O)SC=N2

InChI

InChI=1S/C7H5NOS/c9-6-3-1-2-5-7(6)10-4-8-5/h1-4,9H

InChIKey

KTOZFOSNJSZJTD-UHFFFAOYSA-N

Compound name

1,3-benzothiazol-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 151.00919 Da
Monoisotopic Mass: 2.0
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]+	152.01647	125.4
[M+Na]+	173.99841	139.3
[M+NH4]+	169.04301	135.7
[M+K]+	189.97235	132.4
[M-H]-	150.00191	127.8
[M+Na-2H]-	171.98386	132.5
[M]+	151.00864	128.6
[M]-	151.00974	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe