CID 87167642

7-bromo-4-chloro-6-methoxyquinazoline

Structural Information

Molecular Formula

C₉H₆BrClN₂O

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)Cl)Br

InChI

InChI=1S/C9H6BrClN2O/c1-14-8-2-5-7(3-6(8)10)12-4-13-9(5)11/h2-4H,1H3

InChIKey

IDPQKIIRMGDHIX-UHFFFAOYSA-N

Compound name

7-bromo-4-chloro-6-methoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 271.9352 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]+	272.94248	146.9
[M+Na]+	294.92442	153.7
[M+NH4]+	289.96902	152.5
[M+K]+	310.89836	152.0
[M-H]-	270.92792	147.8
[M+Na-2H]-	292.90987	151.6
[M]+	271.93465	147.3
[M]-	271.93575	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe