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

11759
Patents

137.0351 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04238 123.2
[M+Na]+ 160.02432 129.7
[M-H]- 136.02782 126.7
[M+NH4]+ 155.06892 143.3
[M+K]+ 175.99826 125.8
[M+H-H2O]+ 120.03236 124.1
[M+HCOO]- 182.03330 151.4
[M+CH3COO]- 196.04895 168.4
[M+Na-2H]- 158.00977 133.1
[M]+ 137.03455 119.7
[M]- 137.03565 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

patents stripe