CID 242039

4-oxo-2,4-diphenylbutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

254.0943 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe