CID 108745

Carbonyl cyanide 2-nitrophenylhydrazone

Structural Information

Molecular Formula

C₉H₅N₅O₂

SMILES

C1=CC=C(C(=C1)NN=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C9H5N5O2/c10-5-7(6-11)12-13-8-3-1-2-4-9(8)14(15)16/h1-4,13H

InChIKey

NKWOBFAONPVDDE-UHFFFAOYSA-N

Compound name

2-[(2-nitrophenyl)hydrazinylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 215.04433 Da
Monoisotopic Mass: 2.9
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]+	216.05161	176.8
[M+Na]+	238.03355	184.4
[M+NH4]+	233.07815	176.8
[M+K]+	254.00749	175.7
[M-H]-	214.03705	168.1
[M+Na-2H]-	236.01900	175.5
[M]+	215.04378	174.0
[M]-	215.04488	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe