CID 19495

3722-12-1

Structural Information

Molecular Formula

C₉H₅N₅O₂

SMILES

C1=CC(=CC=C1NN=C(C#N)C#N)[N+](=O)[O-]

InChI

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

InChIKey

WPLQCARIFVAYOT-UHFFFAOYSA-N

Compound name

2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 215.04433 Da
Monoisotopic Mass: 2.4
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