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

17
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

literature stripe

Patent stripe

patents stripe