CID 65042

578-19-8

Structural Information

Molecular Formula
C18H14O8
SMILES
C1=CC=C(C(=C1)C(=O)O)OC(=O)CCC(=O)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H14O8/c19-15(25-13-7-3-1-5-11(13)17(21)22)9-10-16(20)26-14-8-4-2-6-12(14)18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
InChIKey
PREOBXYMXLETCA-UHFFFAOYSA-N
Compound name
2-[4-(2-carboxyphenoxy)-4-oxobutanoyl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

760
Patents

358.06888 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 177.7
[M+Na]+ 381.05810 187.3
[M+NH4]+ 376.10270 180.6
[M+K]+ 397.03204 185.1
[M-H]- 357.06160 176.8
[M+Na-2H]- 379.04355 181.4
[M]+ 358.06833 178.2
[M]- 358.06943 178.2
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.