CID 24259

1,2-dinitrosobenzene

Structural Information

Molecular Formula

C₆H₄N₂O₂

SMILES

C1=CC=C(C(=C1)N=O)N=O

InChI

InChI=1S/C6H4N2O2/c9-7-5-3-1-2-4-6(5)8-10/h1-4H

InChIKey

XYLFFOSVQCBSDT-UHFFFAOYSA-N

Compound name

1,2-dinitrosobenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1329
Patents: 136.02728 Da
Monoisotopic Mass: 0.7
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]+	137.03456	119.9
[M+Na]+	159.01650	129.2
[M-H]-	135.02000	127.1
[M+NH4]+	154.06110	142.5
[M+K]+	174.99044	129.6
[M+H-H2O]+	119.02454	113.6
[M+HCOO]-	181.02548	151.4
[M+CH3COO]-	195.04113	180.6
[M+Na-2H]-	157.00195	130.8
[M]+	136.02673	122.9
[M]-	136.02783	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe