CID 219688

2-(2-phenylphenoxy)acetic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)O
InChI
InChI=1S/C14H12O3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
MAKUMOXHJKKTDP-UHFFFAOYSA-N
Compound name
2-(2-phenylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

160
Patents

228.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.9
[M+Na]+ 251.067858 155.9
[M-H]- 227.071364 154.4
[M+NH4]+ 246.112463 165.8
[M+K]+ 267.041798 152.7
[M+H-H2O]+ 211.075900 141.7
[M+HCOO]- 273.076841 171.7
[M+CH3COO]- 287.092491 186.7
[M+Na-2H]- 249.053306 154.6
[M]+ 228.07809142 149.5
[M]- 228.07918858 149.5
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