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]+ 257.117226 158.5
[M+Na]+ 279.099168 163.5
[M-H]- 255.102674 162.3
[M+NH4]+ 274.143773 173.3
[M+K]+ 295.073108 160.1
[M+H-H2O]+ 239.107210 151.5
[M+HCOO]- 301.108151 177.0
[M+CH3COO]- 315.123801 192.1
[M+Na-2H]- 277.084616 160.2
[M]+ 256.10940142 156.6
[M]- 256.11049858 156.6
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.