CID 135408745

N-nitroso-n-phenylhydroxylamine

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CC=C(C=C1)[N+](=NO)[O-]
InChI
InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,9H
InChIKey
PTPLXVHPKMTVIW-UHFFFAOYSA-N
Compound name
hydroxyimino-oxido-phenylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

10426
Patents

138.04292 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 122.7
[M+Na]+ 161.032138 129.4
[M-H]- 137.035644 126.6
[M+NH4]+ 156.076743 143.1
[M+K]+ 177.006078 124.5
[M+H-H2O]+ 121.040180 121.5
[M+HCOO]- 183.041121 150.5
[M+CH3COO]- 197.056771 167.5
[M+Na-2H]- 159.017586 133.5
[M]+ 138.04237142 119.6
[M]- 138.04346858 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.