CID 53244684

Schembl1914058

Structural Information

Molecular Formula
C18H16O7
SMILES
CC(C)OC(=O)OC1=CC=CC=C1C(=O)OOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H16O7/c1-12(2)22-18(21)23-15-11-7-6-10-14(15)17(20)25-24-16(19)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKey
BBIBHXJTVUHJED-UHFFFAOYSA-N
Compound name
benzoyl 2-propan-2-yloxycarbonyloxybenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

344.0896 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 175.6
[M+Na]+ 367.07882 186.5
[M+NH4]+ 362.12342 180.2
[M+K]+ 383.05276 182.9
[M-H]- 343.08232 176.5
[M+Na-2H]- 365.06427 181.3
[M]+ 344.08905 177.0
[M]- 344.09015 177.0
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