CID 219150

4-phenyl-1-(2h)-phthalazinone

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C14H10N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)
InChIKey
XCJLBNVENUPHEA-UHFFFAOYSA-N
Compound name
4-phenyl-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

187
Patents

222.07932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08660 147.4
[M+Na]+ 245.06854 157.3
[M-H]- 221.07204 151.4
[M+NH4]+ 240.11314 163.2
[M+K]+ 261.04248 151.1
[M+H-H2O]+ 205.07658 138.7
[M+HCOO]- 267.07752 167.8
[M+CH3COO]- 281.09317 159.8
[M+Na-2H]- 243.05399 156.9
[M]+ 222.07877 145.8
[M]- 222.07987 145.8
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