CID 94966

1,2,2-triphenylethanone

Structural Information

Molecular Formula
C20H16O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16O/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey
UKQCJCWLKWRFFI-UHFFFAOYSA-N
Compound name
1,2,2-triphenylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

122
Patents

272.12012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.127396 164.2
[M+Na]+ 295.109338 169.0
[M-H]- 271.112844 173.0
[M+NH4]+ 290.153943 178.9
[M+K]+ 311.083278 163.9
[M+H-H2O]+ 255.117380 155.1
[M+HCOO]- 317.118321 186.1
[M+CH3COO]- 331.133971 175.3
[M+Na-2H]- 293.094786 168.9
[M]+ 272.11957142 161.9
[M]- 272.12066858 161.9
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