CID 3052052

68380-39-2

Structural Information

Molecular Formula
C22H22O9
SMILES
CC1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC2=C(C(=CC(=C2)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H22O9/c1-11-7-17(27-13(3)23)21(29-15(5)25)19(9-11)31-20-10-12(2)8-18(28-14(4)24)22(20)30-16(6)26/h7-10H,1-6H3
InChIKey
GHNQXMCRNRWXDS-UHFFFAOYSA-N
Compound name
[2-acetyloxy-3-(2,3-diacetyloxy-5-methylphenoxy)-5-methylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13365 195.1
[M+Na]+ 453.11559 205.9
[M+NH4]+ 448.16019 197.5
[M+K]+ 469.08953 203.7
[M-H]- 429.11909 194.9
[M+Na-2H]- 451.10104 197.9
[M]+ 430.12582 196.2
[M]- 430.12692 196.2
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.