CID 123091

Bis(4-methylbenzoyl)peroxide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8175
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 160.2
[M+Na]+ 293.07842 174.1
[M+NH4]+ 288.12302 167.5
[M+K]+ 309.05236 167.8
[M-H]- 269.08192 163.5
[M+Na-2H]- 291.06387 168.3
[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

literature stripe

Patent stripe

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