CID 735469

4-[(2,6-dichlorophenyl)methoxy]-3-ethoxybenzaldehyde

Structural Information

Molecular Formula
C16H14Cl2O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C16H14Cl2O3/c1-2-20-16-8-11(9-19)6-7-15(16)21-10-12-13(17)4-3-5-14(12)18/h3-9H,2,10H2,1H3
InChIKey
YYKGJSYGQDBZLW-UHFFFAOYSA-N
Compound name
4-[(2,6-dichlorophenyl)methoxy]-3-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.032 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03928 168.3
[M+Na]+ 347.02122 179.0
[M-H]- 323.02472 174.8
[M+NH4]+ 342.06582 184.4
[M+K]+ 362.99516 172.9
[M+H-H2O]+ 307.02926 162.3
[M+HCOO]- 369.03020 183.2
[M+CH3COO]- 383.04585 205.9
[M+Na-2H]- 345.00667 171.3
[M]+ 324.03145 176.7
[M]- 324.03255 176.7
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

No patent data available for this compound.