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]+ 277.062606 158.4
[M+Na]+ 299.044548 168.4
[M-H]- 275.048054 165.6
[M+NH4]+ 294.089153 175.7
[M+K]+ 315.018488 163.6
[M+H-H2O]+ 259.052590 151.7
[M+HCOO]- 321.053531 178.8
[M+CH3COO]- 335.069181 197.5
[M+Na-2H]- 297.029996 163.4
[M]+ 276.05478142 164.8
[M]- 276.05587858 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