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

0
Patents

242.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.6
[M+Na]+ 265.08352 160.6
[M-H]- 241.08702 157.8
[M+NH4]+ 260.12812 169.5
[M+K]+ 281.05746 156.4
[M+H-H2O]+ 225.09156 146.7
[M+HCOO]- 287.09250 174.5
[M+CH3COO]- 301.10815 188.4
[M+Na-2H]- 263.06897 157.6
[M]+ 242.09375 153.0
[M]- 242.09485 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