CID 138958537

7-bromo-2,4-dichloro-8-fluoroquinazoline

Structural Information

Molecular Formula
C8H2BrCl2FN2
SMILES
C1=CC(=C(C2=C1C(=NC(=N2)Cl)Cl)F)Br
InChI
InChI=1S/C8H2BrCl2FN2/c9-4-2-1-3-6(5(4)12)13-8(11)14-7(3)10/h1-2H
InChIKey
RMTQLOZHXIEDGZ-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichloro-8-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

293.87625 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.883526 143.0
[M+Na]+ 316.865468 160.1
[M-H]- 292.868974 146.6
[M+NH4]+ 311.910073 162.8
[M+K]+ 332.839408 145.7
[M+H-H2O]+ 276.873510 143.0
[M+HCOO]- 338.874451 152.5
[M+CH3COO]- 352.890101 158.0
[M+Na-2H]- 314.850916 151.6
[M]+ 293.87570142 164.0
[M]- 293.87679858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe