CID 70700623

5-bromo-2-chloroquinazoline

Structural Information

Molecular Formula
C8H4BrClN2
SMILES
C1=CC2=NC(=NC=C2C(=C1)Br)Cl
InChI
InChI=1S/C8H4BrClN2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H
InChIKey
XJDPGQHSQGMWEV-UHFFFAOYSA-N
Compound name
5-bromo-2-chloroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 136.1
[M+Na]+ 264.91386 151.2
[M-H]- 240.91736 141.2
[M+NH4]+ 259.95846 157.1
[M+K]+ 280.88780 138.3
[M+H-H2O]+ 224.92190 136.4
[M+HCOO]- 286.92284 151.6
[M+CH3COO]- 300.93849 151.9
[M+Na-2H]- 262.89931 147.4
[M]+ 241.92409 156.8
[M]- 241.92519 156.8
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