CID 235626

2-phenylphthalazin-1(2h)-one

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C=N2
InChI
InChI=1S/C14H10N2O/c17-14-13-9-5-4-6-11(13)10-15-16(14)12-7-2-1-3-8-12/h1-10H
InChIKey
BCCBXCGRKOKWBZ-UHFFFAOYSA-N
Compound name
2-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

37
Patents

222.07932 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.086596 147.2
[M+Na]+ 245.068538 157.4
[M-H]- 221.072044 152.5
[M+NH4]+ 240.113143 163.6
[M+K]+ 261.042478 152.1
[M+H-H2O]+ 205.076580 138.0
[M+HCOO]- 267.077521 169.0
[M+CH3COO]- 281.093171 160.1
[M+Na-2H]- 243.053986 157.0
[M]+ 222.07877142 147.3
[M]- 222.07986858 147.3
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