CID 57435181

6-bromo-4-chloro-7-fluoroquinazoline

Structural Information

Molecular Formula
C8H3BrClFN2
SMILES
C1=C2C(=CC(=C1Br)F)N=CN=C2Cl
InChI
InChI=1S/C8H3BrClFN2/c9-5-1-4-7(2-6(5)11)12-3-13-8(4)10/h1-3H
InChIKey
QANMRDJSEHKTQZ-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-7-fluoroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

259.91522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.922496 139.6
[M+Na]+ 282.904438 155.5
[M-H]- 258.907944 143.7
[M+NH4]+ 277.949043 160.1
[M+K]+ 298.878378 142.2
[M+H-H2O]+ 242.912480 139.1
[M+HCOO]- 304.913421 154.1
[M+CH3COO]- 318.929071 155.1
[M+Na-2H]- 280.889886 149.6
[M]+ 259.91467142 159.7
[M]- 259.91576858 159.7
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