CID 899321

2-(4-bromophenyl)-4-chloroquinazoline

Structural Information

Molecular Formula
C14H8BrClN2
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H
InChIKey
LWOVKRLBRZYBQV-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-chloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

317.95593 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.96321 159.1
[M+Na]+ 340.94515 173.4
[M-H]- 316.94865 166.8
[M+NH4]+ 335.98975 176.9
[M+K]+ 356.91909 159.3
[M+H-H2O]+ 300.95319 157.9
[M+HCOO]- 362.95413 173.8
[M+CH3COO]- 376.96978 173.4
[M+Na-2H]- 338.93060 168.6
[M]+ 317.95538 179.8
[M]- 317.95648 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe