CID 211143

2-(4-benzoylphenyl)propanoic acid

Structural Information

Molecular Formula
C16H14O3
SMILES
CC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H14O3/c1-11(16(18)19)12-7-9-14(10-8-12)15(17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKey
RIOUIOIZYLTJEZ-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

254.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 157.5
[M+Na]+ 277.08352 170.5
[M+NH4]+ 272.12812 164.9
[M+K]+ 293.05746 164.7
[M-H]- 253.08702 160.5
[M+Na-2H]- 275.06897 165.3
[M]+ 254.09375 160.1
[M]- 254.09485 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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