CID 135465077

N-oxido-n-phenylnitrous amide

Structural Information

Molecular Formula

C₆H₅N₂O₂

SMILES

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

InChI

InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,9H/p-1/b8-7-

InChIKey

PTPLXVHPKMTVIW-FPLPWBNLSA-M

Compound name

(Z)-oxido-oxidoimino-phenylazanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 51
References: 13177
Patents: 137.0351 Da
Monoisotopic Mass: 1.0
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]+	138.04238	125.1
[M+Na]+	160.02432	137.9
[M+NH4]+	155.06892	133.7
[M+K]+	175.99826	135.1
[M-H]-	136.02782	129.2
[M+Na-2H]-	158.00977	132.4
[M]+	137.03455	127.6
[M]-	137.03565	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe