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

169
Patents

293.87625 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.88353 149.3
[M+Na]+ 316.86547 156.6
[M+NH4]+ 311.91007 154.8
[M+K]+ 332.83941 154.1
[M-H]- 292.86897 149.2
[M+Na-2H]- 314.85092 153.6
[M]+ 293.87570 149.8
[M]- 293.87680 149.8
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