CID 108748

Einecs 259-749-9

Structural Information

Molecular Formula
C16H14O4
SMILES
COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C16H14O4/c1-19-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16(18)20-2/h3-10H,1-2H3
InChIKey
PPOLWSVBCNDIAF-UHFFFAOYSA-N
Compound name
methyl 2-(4-methoxycarbonylphenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

270.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.4
[M+Na]+ 293.07842 166.9
[M-H]- 269.08192 166.5
[M+NH4]+ 288.12302 175.6
[M+K]+ 309.05236 164.8
[M+H-H2O]+ 253.08646 151.7
[M+HCOO]- 315.08740 182.4
[M+CH3COO]- 329.10305 197.3
[M+Na-2H]- 291.06387 162.7
[M]+ 270.08865 162.9
[M]- 270.08975 162.9
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.