CID 700711

4-[(2-chlorobenzyl)oxy]-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C15H13ClO3
SMILES
COC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2Cl
InChI
InChI=1S/C15H13ClO3/c1-18-15-8-11(9-17)6-7-14(15)19-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKey
LFWIJFJRPYJCEU-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.05533 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 158.4
[M+Na]+ 299.04455 168.4
[M-H]- 275.04805 165.6
[M+NH4]+ 294.08915 175.7
[M+K]+ 315.01849 163.6
[M+H-H2O]+ 259.05259 151.7
[M+HCOO]- 321.05353 178.8
[M+CH3COO]- 335.06918 197.5
[M+Na-2H]- 297.03000 163.4
[M]+ 276.05478 164.8
[M]- 276.05588 164.8
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