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
4
Annotation Hits

0
References

2159
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 122.9
[M+Na]+ 159.01650 135.6
[M+NH4]+ 154.06110 131.7
[M+K]+ 174.99044 129.4
[M-H]- 135.02000 126.5
[M+Na-2H]- 157.00195 131.7
[M]+ 136.02673 125.6
[M]- 136.02783 125.6
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