CID 112554167

8-bromo-4,6-dichloroquinazoline

Structural Information

Molecular Formula
C8H3BrCl2N2
SMILES
C1=C(C=C(C2=C1C(=NC=N2)Cl)Br)Cl
InChI
InChI=1S/C8H3BrCl2N2/c9-6-2-4(10)1-5-7(6)12-3-13-8(5)11/h1-3H
InChIKey
PVXZUNALQFSFNC-UHFFFAOYSA-N
Compound name
8-bromo-4,6-dichloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.88568 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.89296 139.9
[M+Na]+ 298.87490 156.2
[M-H]- 274.87840 144.5
[M+NH4]+ 293.91950 160.2
[M+K]+ 314.84884 142.2
[M+H-H2O]+ 258.88294 140.7
[M+HCOO]- 320.88388 150.4
[M+CH3COO]- 334.89953 155.2
[M+Na-2H]- 296.86035 149.9
[M]+ 275.88513 161.6
[M]- 275.88623 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

No patent data available for this compound.