CID 135742367

6-bromo-7-fluoroquinazolin-4-ol

Structural Information

Molecular Formula

C₈H₄BrFN₂O

SMILES

C1=C2C(=CC(=C1Br)F)N=CNC2=O

InChI

InChI=1S/C8H4BrFN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)

InChIKey

KBQBBYPXSOKJEI-UHFFFAOYSA-N

Compound name

6-bromo-7-fluoro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 241.9491 Da
Monoisotopic Mass: 1.5
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]+	242.95638	142.3
[M+Na]+	264.93832	147.2
[M+NH4]+	259.98292	146.5
[M+K]+	280.91226	146.6
[M-H]-	240.94182	141.1
[M+Na-2H]-	262.92377	145.6
[M]+	241.94855	141.4
[M]-	241.94965	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe