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]+ 277.122296 163.9
[M+Na]+ 299.104238 169.5
[M-H]- 275.107744 171.7
[M+NH4]+ 294.148843 178.1
[M+K]+ 315.078178 164.5
[M+H-H2O]+ 259.112280 155.4
[M+HCOO]- 321.113221 185.1
[M+CH3COO]- 335.128871 175.0
[M+Na-2H]- 297.089686 171.9
[M]+ 276.11447142 162.3
[M]- 276.11556858 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

literature stripe

Patent stripe

patents stripe