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

12
Patents

344.0896 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.096876 176.4
[M+Na]+ 367.078818 181.4
[M-H]- 343.082324 182.8
[M+NH4]+ 362.123423 188.7
[M+K]+ 383.052758 181.5
[M+H-H2O]+ 327.086860 167.7
[M+HCOO]- 389.087801 197.4
[M+CH3COO]- 403.103451 207.5
[M+Na-2H]- 365.064266 177.2
[M]+ 344.08905142 182.3
[M]- 344.09014858 182.3
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