CID 10422632

2-hydroxy-2-(4-phenoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(C1=CC=C(C=C1)OC2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C15H14O4/c1-15(18,14(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,18H,1H3,(H,16,17)
InChIKey
FBRRDGLOFPEXKS-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-phenoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8
Patents

258.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.7
[M+Na]+ 281.07842 163.0
[M-H]- 257.08192 160.9
[M+NH4]+ 276.12302 171.7
[M+K]+ 297.05236 160.0
[M+H-H2O]+ 241.08646 150.0
[M+HCOO]- 303.08740 176.2
[M+CH3COO]- 317.10305 189.8
[M+Na-2H]- 279.06387 162.3
[M]+ 258.08865 156.7
[M]- 258.08975 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe