CID 12292309

55453-89-9

Structural Information

Molecular Formula
C16H14O5
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)CC(=O)O)C(=O)O
InChI
InChI=1S/C16H14O5/c17-15(18)9-11-5-7-13(8-6-11)21-10-12-3-1-2-4-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey
BCYWXPITXHFIQM-UHFFFAOYSA-N
Compound name
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

286.08414 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.8
[M+Na]+ 309.07336 169.0
[M-H]- 285.07686 166.9
[M+NH4]+ 304.11796 176.5
[M+K]+ 325.04730 165.9
[M+H-H2O]+ 269.08140 155.3
[M+HCOO]- 331.08234 182.9
[M+CH3COO]- 345.09799 195.9
[M+Na-2H]- 307.05881 165.2
[M]+ 286.08359 164.2
[M]- 286.08469 164.2
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

No patent data available for this compound.