CID 7023554

22955-07-3

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO4/c16-9-12-6-7-14(13(8-12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
VJANVDWJMIGNFW-UHFFFAOYSA-N
Compound name
3-nitro-4-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

257.06882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 154.9
[M+Na]+ 280.05804 170.2
[M+NH4]+ 275.10264 162.9
[M+K]+ 296.03198 165.3
[M-H]- 256.06154 160.3
[M+Na-2H]- 278.04349 163.9
[M]+ 257.06827 158.5
[M]- 257.06937 158.5
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