CID 95245

Triphenylmethyl hydroperoxide

Structural Information

Molecular Formula
C19H16O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OO
InChI
InChI=1S/C19H16O2/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
InChIKey
ILNQBWPWHQSSNX-UHFFFAOYSA-N
Compound name
[hydroperoxy(diphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

866
Patents

276.11502 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12230 163.9
[M+Na]+ 299.10424 169.5
[M-H]- 275.10774 171.7
[M+NH4]+ 294.14884 178.1
[M+K]+ 315.07818 164.5
[M+H-H2O]+ 259.11228 155.4
[M+HCOO]- 321.11322 185.1
[M+CH3COO]- 335.12887 175.0
[M+Na-2H]- 297.08969 171.9
[M]+ 276.11447 162.3
[M]- 276.11557 162.3
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.