CID 23160273

4-chloroquinazolin-6-ol

Structural Information

Molecular Formula

C₈H₅ClN₂O

SMILES

C1=CC2=C(C=C1O)C(=NC=N2)Cl

InChI

InChI=1S/C8H5ClN2O/c9-8-6-3-5(12)1-2-7(6)10-4-11-8/h1-4,12H

InChIKey

DOFQCJUTUJSCOP-UHFFFAOYSA-N

Compound name

4-chloroquinazolin-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 180.00903 Da
Monoisotopic Mass: 2.1
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]+	181.01631	132.0
[M+Na]+	202.99825	148.3
[M+NH4]+	198.04285	141.4
[M+K]+	218.97219	140.7
[M-H]-	179.00175	134.1
[M+Na-2H]-	200.98370	140.3
[M]+	180.00848	135.3
[M]-	180.00958	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe