CID 64066

49700-31-4

Structural Information

Molecular Formula
C16H12ClFN2O
SMILES
CC1=C(C=CC=C1Cl)N2C(=NC3=CC=CC=C3C2=O)CF
InChI
InChI=1S/C16H12ClFN2O/c1-10-12(17)6-4-8-14(10)20-15(9-18)19-13-7-3-2-5-11(13)16(20)21/h2-8H,9H2,1H3
InChIKey
WVXKNJCOURJHDJ-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.06223 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06951 166.0
[M+Na]+ 325.05145 178.8
[M-H]- 301.05495 170.3
[M+NH4]+ 320.09605 180.8
[M+K]+ 341.02539 171.2
[M+H-H2O]+ 285.05949 156.2
[M+HCOO]- 347.06043 181.3
[M+CH3COO]- 361.07608 178.0
[M+Na-2H]- 323.03690 171.2
[M]+ 302.06168 169.2
[M]- 302.06278 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.