CID 9562464

Benzaldehyde, p-nitro-, o-(m-nitrobenzyl)oxime

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]+ 302.07718 168.6
[M+Na]+ 324.05912 182.6
[M+NH4]+ 319.10372 175.4
[M+K]+ 340.03306 180.5
[M-H]- 300.06262 175.4
[M+Na-2H]- 322.04457 176.4
[M]+ 301.06935 172.2
[M]- 301.07045 172.2
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

No patent data available for this compound.