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
1
Annotation Hits

11
References

181
Patents

222.07932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.086596 147.4
[M+Na]+ 245.068538 157.3
[M-H]- 221.072044 151.4
[M+NH4]+ 240.113143 163.2
[M+K]+ 261.042478 151.1
[M+H-H2O]+ 205.076580 138.7
[M+HCOO]- 267.077521 167.8
[M+CH3COO]- 281.093171 159.8
[M+Na-2H]- 243.053986 156.9
[M]+ 222.07877142 145.8
[M]- 222.07986858 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