CID 613554

1-phenoxyphthalazine

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: 17
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]+	223.08660	148.1
[M+Na]+	245.06854	165.7
[M+NH4]+	240.11314	157.9
[M+K]+	261.04248	156.4
[M-H]-	221.07204	153.4
[M+Na-2H]-	243.05399	159.8
[M]+	222.07877	152.4
[M]-	222.07987	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe