CID 722258

1766-63-8

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07717 150.8
[M+Na]+ 263.05911 161.6
[M-H]- 239.06261 153.8
[M+NH4]+ 258.10371 166.1
[M+K]+ 279.03305 155.0
[M+H-H2O]+ 223.06715 141.2
[M+HCOO]- 285.06809 170.1
[M+CH3COO]- 299.08374 162.9
[M+Na-2H]- 261.04456 158.9
[M]+ 240.06934 148.6
[M]- 240.07044 148.6
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

patents stripe