CID 3058397

Brn 2311144

Structural Information

Molecular Formula
C18H16O8
SMILES
COC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)O)OCC(=O)O
InChI
InChI=1S/C18H16O8/c1-24-13-6-7-14(15(8-13)26-10-17(21)22)18(23)11-2-4-12(5-3-11)25-9-16(19)20/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKey
FQBXMCIEXOUUHE-UHFFFAOYSA-N
Compound name
2-[4-[2-(carboxymethoxy)-4-methoxybenzoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.0845 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.091776 177.2
[M+Na]+ 383.073718 182.6
[M-H]- 359.077224 181.3
[M+NH4]+ 378.118323 187.5
[M+K]+ 399.047658 181.5
[M+H-H2O]+ 343.081760 168.8
[M+HCOO]- 405.082701 196.2
[M+CH3COO]- 419.098351 210.2
[M+Na-2H]- 381.059166 177.2
[M]+ 360.08395142 182.6
[M]- 360.08504858 182.6
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.