CID 47002816

2-hydroxy-5-(2-phenylethyl)benzoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)CCC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H14O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,6-7H2,(H,17,18)
InChIKey
FDPUNEHVECXKLV-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(2-phenylethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 153.6
[M+Na]+ 265.083518 160.6
[M-H]- 241.087024 157.8
[M+NH4]+ 260.128123 169.5
[M+K]+ 281.057458 156.4
[M+H-H2O]+ 225.091560 146.7
[M+HCOO]- 287.092501 174.5
[M+CH3COO]- 301.108151 188.4
[M+Na-2H]- 263.068966 157.6
[M]+ 242.09375142 153.0
[M]- 242.09484858 153.0
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