CID 40788

53498-61-6

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

5
Patents

258.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.096476 156.7
[M+Na]+ 281.078418 162.7
[M-H]- 257.081924 162.0
[M+NH4]+ 276.123023 172.2
[M+K]+ 297.052358 160.5
[M+H-H2O]+ 241.086460 149.1
[M+HCOO]- 303.087401 178.3
[M+CH3COO]- 317.103051 192.7
[M+Na-2H]- 279.063866 160.7
[M]+ 258.08865142 158.4
[M]- 258.08974858 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