CID 87167642

7-bromo-4-chloro-6-methoxyquinazoline

Structural Information

Molecular Formula
C9H6BrClN2O
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)Br
InChI
InChI=1S/C9H6BrClN2O/c1-14-8-2-5-7(3-6(8)10)12-4-13-9(5)11/h2-4H,1H3
InChIKey
IDPQKIIRMGDHIX-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-6-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

271.9352 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94248 143.4
[M+Na]+ 294.92442 158.6
[M-H]- 270.92792 148.6
[M+NH4]+ 289.96902 163.4
[M+K]+ 310.89836 146.1
[M+H-H2O]+ 254.93246 143.4
[M+HCOO]- 316.93340 158.7
[M+CH3COO]- 330.94905 158.8
[M+Na-2H]- 292.90987 153.4
[M]+ 271.93465 166.0
[M]- 271.93575 166.0
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