CID 135465077

N-nitroso-n-phenylhydroxylamine

Structural Information

Molecular Formula
C6H5N2O2
SMILES
C1=CC=C(C=C1)/[N+](=N/[O-])/[O-]
InChI
InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,9H/p-1/b8-7-
InChIKey
PTPLXVHPKMTVIW-FPLPWBNLSA-M
Compound name
(Z)-oxido-oxidoimino-phenylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

11961
Patents

137.0351 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.042376 123.2
[M+Na]+ 160.024318 129.7
[M-H]- 136.027824 126.7
[M+NH4]+ 155.068923 143.3
[M+K]+ 175.998258 125.8
[M+H-H2O]+ 120.032360 124.1
[M+HCOO]- 182.033301 151.4
[M+CH3COO]- 196.048951 168.4
[M+Na-2H]- 158.009766 133.1
[M]+ 137.03455142 119.7
[M]- 137.03564858 119.7
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.