CID 22036572

3-(4-phenoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C15H14O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
InChIKey
XNZKHFWFUASCFO-UHFFFAOYSA-N
Compound name
3-(4-phenoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

242.0943 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe