CID 721102

88877-62-7

Structural Information

Molecular Formula

C₁₃H₁₀N₂OS

SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)N)O

InChI

InChI=1S/C13H10N2OS/c14-8-5-6-9(11(16)7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2

InChIKey

PJHQPFRPACFPPM-UHFFFAOYSA-N

Compound name

5-amino-2-(1,3-benzothiazol-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 33
Patents: 242.05139 Da
Monoisotopic Mass: 3.2
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]+	243.05867	149.8
[M+Na]+	265.04061	164.7
[M+NH4]+	260.08521	159.6
[M+K]+	281.01455	156.9
[M-H]-	241.04411	155.0
[M+Na-2H]-	263.02606	158.6
[M]+	242.05084	154.0
[M]-	242.05194	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe