CID 10106551

4-hyroxy fenoprofen

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.6
[M+Na]+ 281.07842 163.1
[M-H]- 257.08192 160.9
[M+NH4]+ 276.12302 171.7
[M+K]+ 297.05236 160.1
[M+H-H2O]+ 241.08646 149.5
[M+HCOO]- 303.08740 176.6
[M+CH3COO]- 317.10305 191.5
[M+Na-2H]- 279.06387 159.4
[M]+ 258.08865 156.9
[M]- 258.08975 156.9
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

No patent data available for this compound.