CID 84405

Dimethyl 4,4'-oxydibenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

89
Patents

286.08414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 162.4
[M+Na]+ 309.073358 169.7
[M-H]- 285.076864 169.4
[M+NH4]+ 304.117963 177.8
[M+K]+ 325.047298 168.3
[M+H-H2O]+ 269.081400 154.4
[M+HCOO]- 331.082341 185.6
[M+CH3COO]- 345.097991 199.4
[M+Na-2H]- 307.058806 165.7
[M]+ 286.08359142 167.3
[M]- 286.08468858 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe