CID 13889541

Bl i

Structural Information

Molecular Formula
C30H24O13
SMILES
CC(=O)OC1=CC=C(C=C1)C2=C(C3=C(C4=CC(=C(C=C4O3)OC(=O)C)OC(=O)C)C(=C2OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H24O13/c1-13(31)37-20-9-7-19(8-10-20)25-27(40-16(4)34)29(42-18(6)36)26-21-11-23(38-14(2)32)24(39-15(3)33)12-22(21)43-30(26)28(25)41-17(5)35/h7-12H,1-6H3
InChIKey
LSEKLPKUWRDLKY-UHFFFAOYSA-N
Compound name
[4-(1,2,4,7,8-pentaacetyloxydibenzofuran-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

592.1217 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.12898 228.3
[M+Na]+ 615.11092 234.1
[M-H]- 591.11442 238.4
[M+NH4]+ 610.15552 232.8
[M+K]+ 631.08486 238.9
[M+H-H2O]+ 575.11896 219.9
[M+HCOO]- 637.11990 244.2
[M+CH3COO]- 651.13555 260.5
[M+Na-2H]- 613.09637 224.3
[M]+ 592.12115 245.9
[M]- 592.12225 245.9
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