CID 2732579

59725-59-6

Structural Information

Molecular Formula
C16H14O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCC(=O)O
InChI
InChI=1S/C16H14O4/c17-15(18)11-10-12-6-4-5-9-14(12)20-16(19)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18)
InChIKey
WZLUNIRPOQOEJR-UHFFFAOYSA-N
Compound name
3-(2-benzoyloxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

16
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 160.4
[M+Na]+ 293.07842 166.4
[M-H]- 269.08192 165.6
[M+NH4]+ 288.12302 175.4
[M+K]+ 309.05236 163.3
[M+H-H2O]+ 253.08646 152.7
[M+HCOO]- 315.08740 181.8
[M+CH3COO]- 329.10305 194.3
[M+Na-2H]- 291.06387 163.8
[M]+ 270.08865 161.6
[M]- 270.08975 161.6
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.