CID 40788

(o-methoxyphenoxy)phenylacetic acid

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=CC=CC=C1OC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O4/c1-18-12-9-5-6-10-13(12)19-14(15(16)17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,16,17)
InChIKey
LXLIMXAIDZLLPW-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.7
[M+Na]+ 281.07842 162.7
[M-H]- 257.08192 162.0
[M+NH4]+ 276.12302 172.2
[M+K]+ 297.05236 160.5
[M+H-H2O]+ 241.08646 149.1
[M+HCOO]- 303.08740 178.3
[M+CH3COO]- 317.10305 192.7
[M+Na-2H]- 279.06387 160.7
[M]+ 258.08865 158.4
[M]- 258.08975 158.4
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