CID 145865721

4-((2-(benzoyloxy)ethoxy)carbonyl)benzoic acid

Structural Information

Molecular Formula
C17H14O6
SMILES
C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H14O6/c18-15(19)12-6-8-14(9-7-12)17(21)23-11-10-22-16(20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKey
GELYKMNJWXZNIX-UHFFFAOYSA-N
Compound name
4-(2-benzoyloxyethoxycarbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 169.3
[M+Na]+ 337.068258 174.5
[M-H]- 313.071764 174.4
[M+NH4]+ 332.112863 182.1
[M+K]+ 353.042198 172.7
[M+H-H2O]+ 297.076300 161.1
[M+HCOO]- 359.077241 190.0
[M+CH3COO]- 373.092891 201.0
[M+Na-2H]- 335.053706 171.2
[M]+ 314.07849142 172.4
[M]- 314.07958858 172.4
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