CID 161122

Cupferron

Structural Information

Molecular Formula

C₆H₅N₂O₂

SMILES

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

InChI

InChI=1S/C6H5N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5H/q-1

InChIKey

DTPFDWCBDYPUHO-UHFFFAOYSA-N

Compound name

N-oxido-N-phenylnitrous amide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 36
References: 1942
Patents: 137.0351 Da
Monoisotopic Mass: 1.2
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]+	138.04238	121.0
[M+Na]+	160.02432	128.1
[M-H]-	136.02782	126.0
[M+NH4]+	155.06892	142.4
[M+K]+	175.99826	129.7
[M+H-H2O]+	120.03236	116.7
[M+HCOO]-	182.03330	150.6
[M+CH3COO]-	196.04895	178.0
[M+Na-2H]-	158.00977	130.2
[M]+	137.03455	121.2
[M]-	137.03565	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe