CID 161122

Cupferron

Structural Information

Molecular Formula
C6H5N2O2
SMILES
C1=CC=C(C=C1)N(N=O)[O-]
InChI
InChI=1S/C6H5N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5H/q-1
InChIKey
DTPFDWCBDYPUHO-UHFFFAOYSA-N
Compound name
N-oxido-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

1910
Patents

137.0351 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.042376 121.0
[M+Na]+ 160.024318 128.1
[M-H]- 136.027824 126.0
[M+NH4]+ 155.068923 142.4
[M+K]+ 175.998258 129.7
[M+H-H2O]+ 120.032360 116.7
[M+HCOO]- 182.033301 150.6
[M+CH3COO]- 196.048951 178.0
[M+Na-2H]- 158.009766 130.2
[M]+ 137.03455142 121.2
[M]- 137.03564858 121.2
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