CID 64065

49579-12-6

Structural Information

Molecular Formula

C₁₅H₁₀ClFN₂O

SMILES

CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3Cl

InChI

InChI=1S/C15H10ClFN2O/c1-9-18-13-7-6-10(17)8-11(13)15(20)19(9)14-5-3-2-4-12(14)16/h2-8H,1H3

InChIKey

TYDLGASFRRAUKQ-UHFFFAOYSA-N

Compound name

3-(2-chlorophenyl)-6-fluoro-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 288.04657 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.053846	161.3
[M+Na]+	311.035788	174.6
[M-H]-	287.039294	165.8
[M+NH4]+	306.080393	176.7
[M+K]+	327.009728	167.2
[M+H-H2O]+	271.043830	151.8
[M+HCOO]-	333.044771	176.9
[M+CH3COO]-	347.060421	173.8
[M+Na-2H]-	309.021236	167.1
[M]+	288.04602142	164.2
[M]-	288.04711858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe