CID 204610

16676-79-2

Structural Information

Molecular Formula

C₉H₇N₃O₃

SMILES

CC1=NNC(=O)C2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O3/c1-5-6-3-2-4-7(12(14)15)8(6)9(13)11-10-5/h2-4H,1H3,(H,11,13)

InChIKey

HDAONGFMJJTPQU-UHFFFAOYSA-N

Compound name

4-methyl-8-nitro-2H-phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 205.04874 Da
Monoisotopic Mass: 0.8
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]+	206.05602	138.1
[M+Na]+	228.03796	153.2
[M+NH4]+	223.08256	145.5
[M+K]+	244.01190	150.0
[M-H]-	204.04146	140.3
[M+Na-2H]-	226.02341	144.4
[M]+	205.04819	140.7
[M]-	205.04929	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.