CID 63242

49579-08-0

Structural Information

Molecular Formula
C15H10F2N2O
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3F
InChI
InChI=1S/C15H10F2N2O/c1-9-18-13-7-6-10(16)8-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,1H3
InChIKey
NTEYCGCUHJEPGG-UHFFFAOYSA-N
Compound name
6-fluoro-3-(2-fluorophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

272.0761 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08338 159.0
[M+Na]+ 295.06532 171.7
[M-H]- 271.06882 162.5
[M+NH4]+ 290.10992 174.2
[M+K]+ 311.03926 165.2
[M+H-H2O]+ 255.07336 148.1
[M+HCOO]- 317.07430 178.2
[M+CH3COO]- 331.08995 171.3
[M+Na-2H]- 293.05077 164.7
[M]+ 272.07555 158.7
[M]- 272.07665 158.7
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