CID 78603

2-bibenzylcarboxylic acid

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChIKey
IOHPVZBSOKLVMN-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8805
Patents

226.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 151.4
[M+Na]+ 249.08860 165.8
[M+NH4]+ 244.13320 160.1
[M+K]+ 265.06254 158.0
[M-H]- 225.09210 155.7
[M+Na-2H]- 247.07405 160.8
[M]+ 226.09883 154.7
[M]- 226.09993 154.7
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

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