CID 12832053

344349-71-9

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)OCC2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C15H14O3/c16-15(17)10-12-6-8-13(9-7-12)11-18-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,16,17)
InChIKey
QBURWARFRCEQQA-UHFFFAOYSA-N
Compound name
2-[4-(phenoxymethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 154.6
[M+Na]+ 265.08352 168.5
[M+NH4]+ 260.12812 162.6
[M+K]+ 281.05746 161.2
[M-H]- 241.08702 158.3
[M+Na-2H]- 263.06897 163.4
[M]+ 242.09375 157.6
[M]- 242.09485 157.6
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