CID 118010400

7-bromo-2,4,6-trichloro-8-fluoroquinazoline

Structural Information

Molecular Formula

C₈HBrCl₃FN₂

SMILES

C1=C2C(=C(C(=C1Cl)Br)F)N=C(N=C2Cl)Cl

InChI

InChI=1S/C8HBrCl3FN2/c9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11/h1H

InChIKey

MZPLLPUWIXCTEI-UHFFFAOYSA-N

Compound name

7-bromo-2,4,6-trichloro-8-fluoroquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 344
Patents: 327.83728 Da
Monoisotopic Mass: 4.9
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]+	328.84456	146.4
[M+Na]+	350.82650	164.1
[M-H]-	326.83000	149.0
[M+NH4]+	345.87110	165.0
[M+K]+	366.80044	149.3
[M+H-H2O]+	310.83454	146.7
[M+HCOO]-	372.83548	150.7
[M+CH3COO]-	386.85113	160.5
[M+Na-2H]-	348.81195	153.4
[M]+	327.83673	167.2
[M]-	327.83783	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe