CID 3082434

35888-99-4

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
InChIKey
MVFHRQWYCXYYMU-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

230
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 157.0
[M-H]- 225.09210 155.6
[M+NH4]+ 244.13320 167.4
[M+K]+ 265.06254 152.9
[M+H-H2O]+ 209.09664 143.2
[M+HCOO]- 271.09758 172.5
[M+CH3COO]- 285.11323 187.7
[M+Na-2H]- 247.07405 155.5
[M]+ 226.09883 149.8
[M]- 226.09993 149.8
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