CID 43415

60722-25-0

Structural Information

Molecular Formula
C14H12O7
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)O)OC(=O)C
InChI
InChI=1S/C14H12O7/c1-7(15)19-9-3-4-10-11(5-9)21-12(6-13(17)18)14(10)20-8(2)16/h3-5H,6H2,1-2H3,(H,17,18)
InChIKey
VKGBTZVAMUOXLB-UHFFFAOYSA-N
Compound name
2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0583 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06558 159.7
[M+Na]+ 315.04752 168.9
[M-H]- 291.05102 164.7
[M+NH4]+ 310.09212 176.1
[M+K]+ 331.02146 169.1
[M+H-H2O]+ 275.05556 154.2
[M+HCOO]- 337.05650 181.1
[M+CH3COO]- 351.07215 198.4
[M+Na-2H]- 313.03297 162.3
[M]+ 292.05775 168.3
[M]- 292.05885 168.3
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.