CID 590778

329222-85-7

Structural Information

Molecular Formula
C15H11Cl3O3
SMILES
COC1=C(C=C(C=C1)C=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3O3/c1-20-14-3-2-9(7-19)4-10(14)8-21-15-12(17)5-11(16)6-13(15)18/h2-7H,8H2,1H3
InChIKey
OUOCMYLFNSTZGI-UHFFFAOYSA-N
Compound name
4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9774 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.98468 168.8
[M+Na]+ 366.96662 180.6
[M-H]- 342.97012 174.4
[M+NH4]+ 362.01122 184.3
[M+K]+ 382.94056 174.2
[M+H-H2O]+ 326.97466 163.8
[M+HCOO]- 388.97560 178.4
[M+CH3COO]- 402.99125 209.0
[M+Na-2H]- 364.95207 170.6
[M]+ 343.97685 177.3
[M]- 343.97795 177.3
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.