CID 12732499

3-(2-phenylphenoxy)propanoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCCC(=O)O
InChI
InChI=1S/C15H14O3/c16-15(17)10-11-18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChIKey
UBDJEOVEHGGMOE-UHFFFAOYSA-N
Compound name
3-(2-phenylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 158.8
[M+NH4]+ 260.12812 169.9
[M+K]+ 281.05746 156.7
[M+H-H2O]+ 225.09156 146.2
[M+HCOO]- 287.09250 176.0
[M+CH3COO]- 301.10815 189.7
[M+Na-2H]- 263.06897 158.7
[M]+ 242.09375 154.5
[M]- 242.09485 154.5
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