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 158.5
[M+Na]+ 279.09917 163.5
[M-H]- 255.10267 162.3
[M+NH4]+ 274.14377 173.3
[M+K]+ 295.07311 160.1
[M+H-H2O]+ 239.10721 151.5
[M+HCOO]- 301.10815 177.0
[M+CH3COO]- 315.12380 192.1
[M+Na-2H]- 277.08462 160.2
[M]+ 256.10940 156.6
[M]- 256.11050 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.