CID 14397530

8-bromo-4-chloroquinazoline

Structural Information

Molecular Formula
C8H4BrClN2
SMILES
C1=CC2=C(C(=C1)Br)N=CN=C2Cl
InChI
InChI=1S/C8H4BrClN2/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H
InChIKey
NVMDCMMESVPNHN-UHFFFAOYSA-N
Compound name
8-bromo-4-chloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

241.92464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93192 139.1
[M+Na]+ 264.91386 146.3
[M+NH4]+ 259.95846 145.4
[M+K]+ 280.88780 144.2
[M-H]- 240.91736 140.5
[M+Na-2H]- 262.89931 144.8
[M]+ 241.92409 139.8
[M]- 241.92519 139.8
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

patents stripe