CID 19902148

5-bromo-2,4-dichloroquinazoline

Structural Information

Molecular Formula
C8H3BrCl2N2
SMILES
C1=CC2=C(C(=C1)Br)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H3BrCl2N2/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H
InChIKey
JFJWOUKXMNABQC-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dichloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

275.88568 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.892956 139.9
[M+Na]+ 298.874898 156.2
[M-H]- 274.878404 144.5
[M+NH4]+ 293.919503 160.2
[M+K]+ 314.848838 142.2
[M+H-H2O]+ 258.882940 140.7
[M+HCOO]- 320.883881 150.4
[M+CH3COO]- 334.899531 155.2
[M+Na-2H]- 296.860346 149.9
[M]+ 275.88513142 161.6
[M]- 275.88622858 161.6
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