CID 1713497

6-bromo-2-chloro-4-phenylquinazoline

Structural Information

Molecular Formula
C14H8BrClN2
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)Cl
InChI
InChI=1S/C14H8BrClN2/c15-10-6-7-12-11(8-10)13(18-14(16)17-12)9-4-2-1-3-5-9/h1-8H
InChIKey
XHAZRLJQCFZAAJ-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.95593 Da
Monoisotopic Mass

5.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.