CID 63823

Brn 0821959

Structural Information

Molecular Formula
C16H12ClFN2O
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CF
InChI
InChI=1S/C16H12ClFN2O/c1-10-5-2-3-8-13(10)20-14(9-18)19-12-7-4-6-11(17)15(12)16(20)21/h2-8H,9H2,1H3
InChIKey
QXWTXDVGMITROT-UHFFFAOYSA-N
Compound name
5-chloro-2-(fluoromethyl)-3-(2-methylphenyl)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 166.4
[M+Na]+ 325.05145 184.5
[M+NH4]+ 320.09605 174.9
[M+K]+ 341.02539 174.8
[M-H]- 301.05495 169.9
[M+Na-2H]- 323.03690 175.5
[M]+ 302.06168 170.5
[M]- 302.06278 170.5
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.