CID 613554

100537-30-2

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C(C=C1)OC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H

InChIKey

CSHSXUZQMJVDJY-UHFFFAOYSA-N

Compound name

1-phenoxyphthalazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 26
Patents: 222.07932 Da
Monoisotopic Mass: 3.0
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]+	223.086596	147.4
[M+Na]+	245.068538	156.3
[M-H]-	221.072044	152.2
[M+NH4]+	240.113143	163.5
[M+K]+	261.042478	151.6
[M+H-H2O]+	205.076580	137.9
[M+HCOO]-	267.077521	169.0
[M+CH3COO]-	281.093171	159.9
[M+Na-2H]-	243.053986	158.0
[M]+	222.07877142	147.8
[M]-	222.07986858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe