CID 877931

Methyl 4-[(4-formylphenoxy)methyl]benzoate

Structural Information

Molecular Formula
C16H14O4
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C16H14O4/c1-19-16(18)14-6-2-13(3-7-14)11-20-15-8-4-12(10-17)5-9-15/h2-10H,11H2,1H3
InChIKey
QCMBUFDXULESGG-UHFFFAOYSA-N
Compound name
methyl 4-[(4-formylphenoxy)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

270.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 160.4
[M+Na]+ 293.07842 174.6
[M+NH4]+ 288.12302 167.8
[M+K]+ 309.05236 167.5
[M-H]- 269.08192 163.9
[M+Na-2H]- 291.06387 168.8
[M]+ 270.08865 163.4
[M]- 270.08975 163.4
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