CID 112340

69868-19-5

Structural Information

Molecular Formula
C22H14O13
SMILES
C1=CC2=C(C=C1C(=O)OCOCOCOCOC(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C22H14O13/c23-17(11-1-3-13-15(5-11)21(27)34-19(13)25)32-9-30-7-29-8-31-10-33-18(24)12-2-4-14-16(6-12)22(28)35-20(14)26/h1-6H,7-10H2
InChIKey
KVUKZSJWHADELQ-UHFFFAOYSA-N
Compound name
(1,3-dioxo-2-benzofuran-5-carbonyl)oxymethoxymethoxymethoxymethyl 1,3-dioxo-2-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

486.04343 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.05071 200.9
[M+Na]+ 509.03265 208.9
[M+NH4]+ 504.07725 202.3
[M+K]+ 525.00659 212.0
[M-H]- 485.03615 201.6
[M+Na-2H]- 507.01810 199.0
[M]+ 486.04288 201.5
[M]- 486.04398 201.5
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