CID 225738

5439-98-5

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)14(18)16(15-13)10-6-2-1-3-7-10/h1-9H,(H,15,17)

InChIKey

DHORJGJIZSYQQV-UHFFFAOYSA-N

Compound name

3-phenyl-2H-phthalazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 46
Patents: 238.07423 Da
Monoisotopic Mass: 2.2
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]+	239.08151	150.5
[M+Na]+	261.06345	161.3
[M-H]-	237.06695	154.8
[M+NH4]+	256.10805	165.7
[M+K]+	277.03739	155.2
[M+H-H2O]+	221.07149	141.7
[M+HCOO]-	283.07243	171.1
[M+CH3COO]-	297.08808	163.0
[M+Na-2H]-	259.04890	159.1
[M]+	238.07368	150.0
[M]-	238.07478	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe