CID 720715

2-[(4-nitrobenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C(=C1)C=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO4/c16-9-12-3-1-2-4-14(12)19-10-11-5-7-13(8-6-11)15(17)18/h1-9H,10H2
InChIKey
AXZLBQBZZLPIMB-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

257.06882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.076096 155.7
[M+Na]+ 280.058038 162.6
[M-H]- 256.061544 162.7
[M+NH4]+ 275.102643 171.4
[M+K]+ 296.031978 155.6
[M+H-H2O]+ 240.066080 152.4
[M+HCOO]- 302.067021 181.7
[M+CH3COO]- 316.082671 189.0
[M+Na-2H]- 278.043486 163.2
[M]+ 257.06827142 156.5
[M]- 257.06936858 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe