CID 820012

3-formylphenyl 3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC(=CC(=C1)C(=O)OC2=CC=CC(=C2)C=O)OC
InChI
InChI=1S/C16H14O5/c1-19-14-7-12(8-15(9-14)20-2)16(18)21-13-5-3-4-11(6-13)10-17/h3-10H,1-2H3
InChIKey
UVHUMURGQNULMI-UHFFFAOYSA-N
Compound name
(3-formylphenyl) 3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 161.7
[M+Na]+ 309.07336 170.1
[M-H]- 285.07686 169.0
[M+NH4]+ 304.11796 177.3
[M+K]+ 325.04730 168.2
[M+H-H2O]+ 269.08140 153.7
[M+HCOO]- 331.08234 185.8
[M+CH3COO]- 345.09799 200.4
[M+Na-2H]- 307.05881 165.5
[M]+ 286.08359 167.7
[M]- 286.08469 167.7
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.