CID 66921

1,4-dinitrosobenzene

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C1=CC(=CC=C1N=O)N=O
InChI
InChI=1S/C6H4N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4H
InChIKey
MKZXROSCOHNKDX-UHFFFAOYSA-N
Compound name
1,4-dinitrosobenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2507
Patents

136.02728 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe