CID 11402235

2-hydroxy-5-(1-phenylethyl)benzoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(9-12)15(17)18/h2-10,16H,1H3,(H,17,18)
InChIKey
MSOVRVJXGBFBNF-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(1-phenylethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

324
Patents

242.0943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.5
[M+Na]+ 265.08352 160.2
[M-H]- 241.08702 157.8
[M+NH4]+ 260.12812 169.3
[M+K]+ 281.05746 156.5
[M+H-H2O]+ 225.09156 146.7
[M+HCOO]- 287.09250 173.4
[M+CH3COO]- 301.10815 189.4
[M+Na-2H]- 263.06897 156.2
[M]+ 242.09375 152.3
[M]- 242.09485 152.3
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