CID 76431

Peroxide, bis(2-methylbenzoyl)

Structural Information

Molecular Formula
C16H14O4
SMILES
CC1=CC=CC=C1C(=O)OOC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C16H14O4/c1-11-7-3-5-9-13(11)15(17)19-20-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey
ZICNIEOYWVIEQJ-UHFFFAOYSA-N
Compound name
(2-methylbenzoyl) 2-methylbenzenecarboperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5271
Patents

270.0892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 159.6
[M+Na]+ 293.078418 167.2
[M-H]- 269.081924 166.8
[M+NH4]+ 288.123023 175.9
[M+K]+ 309.052358 165.1
[M+H-H2O]+ 253.086460 152.0
[M+HCOO]- 315.087401 182.7
[M+CH3COO]- 329.103051 196.6
[M+Na-2H]- 291.063866 162.9
[M]+ 270.08865142 163.1
[M]- 270.08974858 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

patents stripe