CID 53244685

Schembl1913788

Structural Information

Molecular Formula
C22H22O10
SMILES
CC(C)OC(=O)OC1=CC=CC=C1C(=O)OOC(=O)C2=CC=CC=C2OC(=O)OC(C)C
InChI
InChI=1S/C22H22O10/c1-13(2)27-21(25)29-17-11-7-5-9-15(17)19(23)31-32-20(24)16-10-6-8-12-18(16)30-22(26)28-14(3)4/h5-14H,1-4H3
InChIKey
IRAJJESCACUDIX-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxycarbonyloxybenzoyl) 2-propan-2-yloxycarbonyloxybenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

446.1213 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12858 197.8
[M+Na]+ 469.11052 201.0
[M-H]- 445.11402 203.9
[M+NH4]+ 464.15512 205.7
[M+K]+ 485.08446 203.6
[M+H-H2O]+ 429.11856 188.5
[M+HCOO]- 491.11950 216.2
[M+CH3COO]- 505.13515 226.9
[M+Na-2H]- 467.09597 194.5
[M]+ 446.12075 207.7
[M]- 446.12185 207.7
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.