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]+ 294.88353 143.0
[M+Na]+ 316.86547 160.1
[M-H]- 292.86897 146.6
[M+NH4]+ 311.91007 162.8
[M+K]+ 332.83941 145.7
[M+H-H2O]+ 276.87351 143.0
[M+HCOO]- 338.87445 152.5
[M+CH3COO]- 352.89010 158.0
[M+Na-2H]- 314.85092 151.6
[M]+ 293.87570 164.0
[M]- 293.87680 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