CID 357763

Dibenzyl peroxydicarbonate

Structural Information

Molecular Formula
C16H14O6
SMILES
C1=CC=C(C=C1)COC(=O)OOC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H14O6/c17-15(19-11-13-7-3-1-4-8-13)21-22-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
IAWYWVVBKGWUEP-UHFFFAOYSA-N
Compound name
benzyl phenylmethoxycarbonyloxy carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

783
Patents

302.07904 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.086316 167.0
[M+Na]+ 325.068258 172.5
[M-H]- 301.071764 173.3
[M+NH4]+ 320.112863 181.2
[M+K]+ 341.042198 171.7
[M+H-H2O]+ 285.076300 158.4
[M+HCOO]- 347.077241 190.4
[M+CH3COO]- 361.092891 197.2
[M+Na-2H]- 323.053706 171.7
[M]+ 302.07849142 172.2
[M]- 302.07958858 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe