CID 3274240

302913-42-4

Structural Information

Molecular Formula
C15H9Cl2FN2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)F
InChI
InChI=1S/C15H9Cl2FN2O/c16-10-5-11-14(12(17)6-10)19-8-20(15(11)21)7-9-3-1-2-4-13(9)18/h1-6,8H,7H2
InChIKey
ZPZRAWOUHMPTSG-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-[(2-fluorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0076 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01488 166.1
[M+Na]+ 344.99682 179.5
[M-H]- 321.00032 169.5
[M+NH4]+ 340.04142 180.5
[M+K]+ 360.97076 171.2
[M+H-H2O]+ 305.00486 156.9
[M+HCOO]- 367.00580 176.5
[M+CH3COO]- 381.02145 177.7
[M+Na-2H]- 342.98227 171.1
[M]+ 322.00705 170.2
[M]- 322.00815 170.2
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.