CID 10107568

6-bromo-2,4-dichloroquinazoline

Structural Information

Molecular Formula
C8H3BrCl2N2
SMILES
C1=CC2=C(C=C1Br)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H3BrCl2N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
InChIKey
LBAYOWRVZAKPLS-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

275.88568 Da
Monoisotopic Mass

4.2
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

literature stripe

Patent stripe

patents stripe