CID 18384

2-phenoxy-2-phenylacetic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O3/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey
ABUKMOCUMIPDHV-UHFFFAOYSA-N
Compound name
2-phenoxy-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

380
Patents

228.07864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.5
[M+Na]+ 251.06786 155.2
[M-H]- 227.07136 154.6
[M+NH4]+ 246.11246 166.0
[M+K]+ 267.04180 152.5
[M+H-H2O]+ 211.07590 142.2
[M+HCOO]- 273.07684 171.2
[M+CH3COO]- 287.09249 186.5
[M+Na-2H]- 249.05331 154.7
[M]+ 228.07809 149.0
[M]- 228.07919 149.0
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