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]+ 361.09178 177.2
[M+Na]+ 383.07372 182.6
[M-H]- 359.07722 181.3
[M+NH4]+ 378.11832 187.5
[M+K]+ 399.04766 181.5
[M+H-H2O]+ 343.08176 168.8
[M+HCOO]- 405.08270 196.2
[M+CH3COO]- 419.09835 210.2
[M+Na-2H]- 381.05917 177.2
[M]+ 360.08395 182.6
[M]- 360.08505 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.