CID 237487

4-oxo-3,4-diphenylbutanoic acid

Structural Information

Molecular Formula
C16H14O3
SMILES
C1=CC=C(C=C1)C(CC(=O)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O3/c17-15(18)11-14(12-7-3-1-4-8-12)16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
InChIKey
UPIUBJLNVKULID-UHFFFAOYSA-N
Compound name
4-oxo-3,4-diphenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

254.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 158.0
[M+Na]+ 277.08352 170.6
[M+NH4]+ 272.12812 165.3
[M+K]+ 293.05746 164.5
[M-H]- 253.08702 160.9
[M+Na-2H]- 275.06897 166.0
[M]+ 254.09375 160.5
[M]- 254.09485 160.5
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