CID 722258

4-(4-fluorophenyl)phthalazin-1(2h)-one

Structural Information

Molecular Formula

C₁₄H₉FN₂O

SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18)

InChIKey

ZMXMVYKPVMNLOJ-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-2H-phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 240.06989 Da
Monoisotopic Mass: 2.8
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]+	241.07717	151.9
[M+Na]+	263.05911	168.4
[M+NH4]+	258.10371	160.1
[M+K]+	279.03305	160.0
[M-H]-	239.06261	154.9
[M+Na-2H]-	261.04456	161.4
[M]+	240.06934	155.2
[M]-	240.07044	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe