CID 4548463

Hydroxy-phenyl-p-tolyl-acetic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C15H14O3/c1-11-7-9-13(10-8-11)15(18,14(16)17)12-5-3-2-4-6-12/h2-10,18H,1H3,(H,16,17)
InChIKey
CINSFZZGMRTJKZ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-methylphenyl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

242.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.6
[M+Na]+ 265.08352 160.1
[M-H]- 241.08702 157.8
[M+NH4]+ 260.12812 169.3
[M+K]+ 281.05746 156.3
[M+H-H2O]+ 225.09156 147.2
[M+HCOO]- 287.09250 172.9
[M+CH3COO]- 301.10815 187.6
[M+Na-2H]- 263.06897 159.1
[M]+ 242.09375 152.2
[M]- 242.09485 152.2
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