CID 7275231

853318-69-1

Structural Information

Molecular Formula
C15H9BrCl2N2O
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(C2=O)C=C(C=C3)Br)Cl
InChI
InChI=1S/C15H9BrCl2N2O/c16-9-4-5-14-10(6-9)15(21)20(8-19-14)7-11-12(17)2-1-3-13(11)18/h1-6,8H,7H2
InChIKey
GPBMRVUYZHDIAH-UHFFFAOYSA-N
Compound name
6-bromo-3-[(2,6-dichlorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.92752 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.93480 169.3
[M+Na]+ 404.91674 185.3
[M-H]- 380.92024 176.7
[M+NH4]+ 399.96134 185.4
[M+K]+ 420.89068 170.2
[M+H-H2O]+ 364.92478 168.2
[M+HCOO]- 426.92572 179.0
[M+CH3COO]- 440.94137 182.9
[M+Na-2H]- 402.90219 176.2
[M]+ 381.92697 192.5
[M]- 381.92807 192.5
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.