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 176.4
[M+Na]+ 367.07882 181.4
[M-H]- 343.08232 182.8
[M+NH4]+ 362.12342 188.7
[M+K]+ 383.05276 181.5
[M+H-H2O]+ 327.08686 167.7
[M+HCOO]- 389.08780 197.4
[M+CH3COO]- 403.10345 207.5
[M+Na-2H]- 365.06427 177.2
[M]+ 344.08905 182.3
[M]- 344.09015 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