CID 4344696

302913-38-8

Structural Information

Molecular Formula
C15H10ClFN2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)F
InChI
InChI=1S/C15H10ClFN2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2
InChIKey
BTNAEOBYQDDYOZ-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2-fluorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04657 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05385 161.1
[M+Na]+ 311.03579 173.4
[M-H]- 287.03929 165.1
[M+NH4]+ 306.08039 176.2
[M+K]+ 327.00973 165.9
[M+H-H2O]+ 271.04383 151.3
[M+HCOO]- 333.04477 176.7
[M+CH3COO]- 347.06042 173.2
[M+Na-2H]- 309.02124 167.6
[M]+ 288.04602 163.5
[M]- 288.04712 163.5
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.