CID 9562464

Nsc-131324

Structural Information

Molecular Formula
C14H11N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CO/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O5/c18-16(19)13-6-4-11(5-7-13)9-15-22-10-12-2-1-3-14(8-12)17(20)21/h1-9H,10H2/b15-9+
InChIKey
YAPIGDWFNPNBAO-OQLLNIDSSA-N
Compound name
(E)-1-(4-nitrophenyl)-N-[(3-nitrophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0699 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.077176 167.4
[M+Na]+ 324.059118 171.6
[M-H]- 300.062624 174.9
[M+NH4]+ 319.103723 179.8
[M+K]+ 340.033058 161.2
[M+H-H2O]+ 284.067160 167.2
[M+HCOO]- 346.068101 195.3
[M+CH3COO]- 360.083751 196.1
[M+Na-2H]- 322.044566 176.6
[M]+ 301.06935142 165.9
[M]- 301.07044858 165.9
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.