CID 14121487

Bis(3-methylbenzoyl) peroxide

Structural Information

Molecular Formula
C16H14O4
SMILES
CC1=CC(=CC=C1)C(=O)OOC(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C16H14O4/c1-11-5-3-7-13(9-11)15(17)19-20-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey
NLBJAOHLJABDAU-UHFFFAOYSA-N
Compound name
(3-methylbenzoyl) 3-methylbenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5361
Patents

270.0892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.6
[M+Na]+ 293.07842 167.2
[M-H]- 269.08192 166.8
[M+NH4]+ 288.12302 175.9
[M+K]+ 309.05236 165.1
[M+H-H2O]+ 253.08646 152.0
[M+HCOO]- 315.08740 182.7
[M+CH3COO]- 329.10305 196.6
[M+Na-2H]- 291.06387 162.9
[M]+ 270.08865 163.1
[M]- 270.08975 163.1
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

No patent data available for this compound.