CID 198491

Brn 2809537

Structural Information

Molecular Formula
C16H16O3
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(C(=O)O)O
InChI
InChI=1S/C16H16O3/c1-11(15(17)16(18)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15,17H,1H3,(H,18,19)
InChIKey
SDMFWIXCQGKUDE-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(4-phenylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.1
[M+Na]+ 279.09917 171.5
[M+NH4]+ 274.14377 166.4
[M+K]+ 295.07311 166.0
[M-H]- 255.10267 161.8
[M+Na-2H]- 277.08462 166.4
[M]+ 256.10940 161.5
[M]- 256.11050 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.