CID 7023554

4-(benzyloxy)-3-nitrobenzaldehyde

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

104
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 155.7
[M+Na]+ 280.05804 162.6
[M-H]- 256.06154 162.7
[M+NH4]+ 275.10264 171.4
[M+K]+ 296.03198 155.6
[M+H-H2O]+ 240.06608 152.4
[M+HCOO]- 302.06702 181.7
[M+CH3COO]- 316.08267 189.0
[M+Na-2H]- 278.04349 163.2
[M]+ 257.06827 156.5
[M]- 257.06937 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

No literature data available for this compound.

Patent stripe

patents stripe