CID 101181

5555-13-5

Structural Information

Molecular Formula
C15H14O3
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)
InChIKey
FUPGQEMJIGUBGO-UHFFFAOYSA-N
Compound name
2-(4-phenylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

33
Patents

242.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.3
[M+Na]+ 265.08352 167.8
[M+NH4]+ 260.12812 162.2
[M+K]+ 281.05746 161.4
[M-H]- 241.08702 157.8
[M+Na-2H]- 263.06897 162.8
[M]+ 242.09375 157.2
[M]- 242.09485 157.2
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