CID 3031176

2-(3-(4-hydroxybenzoyl)phenyl)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.6
[M+Na]+ 293.07842 165.7
[M-H]- 269.08192 163.8
[M+NH4]+ 288.12302 174.0
[M+K]+ 309.05236 162.5
[M+H-H2O]+ 253.08646 152.6
[M+HCOO]- 315.08740 178.5
[M+CH3COO]- 329.10305 194.7
[M+Na-2H]- 291.06387 160.7
[M]+ 270.08865 158.9
[M]- 270.08975 158.9
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

No patent data available for this compound.