CID 95511

3-hydroxy-2,3-diphenylpropanoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)C(=O)O
InChI
InChI=1S/C15H14O3/c16-14(12-9-5-2-6-10-12)13(15(17)18)11-7-3-1-4-8-11/h1-10,13-14,16H,(H,17,18)
InChIKey
SHLDFCNQGMQVSJ-UHFFFAOYSA-N
Compound name
3-hydroxy-2,3-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 154.4
[M+Na]+ 265.083518 158.9
[M-H]- 241.087024 158.0
[M+NH4]+ 260.128123 169.5
[M+K]+ 281.057458 155.7
[M+H-H2O]+ 225.091560 147.4
[M+HCOO]- 287.092501 173.3
[M+CH3COO]- 301.108151 187.9
[M+Na-2H]- 263.068966 157.3
[M]+ 242.09375142 151.8
[M]- 242.09484858 151.8
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

patents stripe