CID 238957

Dtxsid50862852

Structural Information

Molecular Formula
C16H22O6
SMILES
CC(C)(C)OOC(=O)C1=CC=CC=C1C(=O)OOC(C)(C)C
InChI
InChI=1S/C16H22O6/c1-15(2,3)21-19-13(17)11-9-7-8-10-12(11)14(18)20-22-16(4,5)6/h7-10H,1-6H3
InChIKey
QZYRMODBFHTNHF-UHFFFAOYSA-N
Compound name
ditert-butyl benzene-1,2-dicarboperoxoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4704
Patents

310.14163 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.148906 169.6
[M+Na]+ 333.130848 175.7
[M-H]- 309.134354 173.3
[M+NH4]+ 328.175453 184.6
[M+K]+ 349.104788 176.6
[M+H-H2O]+ 293.138890 163.7
[M+HCOO]- 355.139831 188.6
[M+CH3COO]- 369.155481 203.9
[M+Na-2H]- 331.116296 173.6
[M]+ 310.14108142 177.3
[M]- 310.14217858 177.3
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