CID 74421

1732-97-4

Structural Information

Molecular Formula
C23H14O12
SMILES
CC(=O)OC(COC(=O)C1=CC2=C(C=C1)C(=O)OC2=O)COC(=O)C3=CC4=C(C=C3)C(=O)OC4=O
InChI
InChI=1S/C23H14O12/c1-10(24)33-13(8-31-18(25)11-2-4-14-16(6-11)22(29)34-20(14)27)9-32-19(26)12-3-5-15-17(7-12)23(30)35-21(15)28/h2-7,13H,8-9H2,1H3
InChIKey
OQOUNJQHPJEYQP-UHFFFAOYSA-N
Compound name
[2-acetyloxy-3-(1,3-dioxo-2-benzofuran-5-carbonyl)oxypropyl] 1,3-dioxo-2-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

482.04852 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.05580 198.3
[M+Na]+ 505.03774 204.6
[M-H]- 481.04124 208.8
[M+NH4]+ 500.08234 207.6
[M+K]+ 521.01168 207.5
[M+H-H2O]+ 465.04578 193.6
[M+HCOO]- 527.04672 214.8
[M+CH3COO]- 541.06237 236.7
[M+Na-2H]- 503.02319 196.5
[M]+ 482.04797 210.0
[M]- 482.04907 210.0
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