CID 22810

6341-72-6

Structural Information

Molecular Formula
C15H14O2
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKey
JALUUBQFLPUJMY-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

529
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 150.3
[M+Na]+ 249.08860 156.6
[M-H]- 225.09210 155.7
[M+NH4]+ 244.13320 167.3
[M+K]+ 265.06254 153.1
[M+H-H2O]+ 209.09664 143.3
[M+HCOO]- 271.09758 171.5
[M+CH3COO]- 285.11323 188.6
[M+Na-2H]- 247.07405 154.2
[M]+ 226.09883 149.2
[M]- 226.09993 149.2
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