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]+ 273.12740 164.2
[M+Na]+ 295.10934 169.0
[M-H]- 271.11284 173.0
[M+NH4]+ 290.15394 178.9
[M+K]+ 311.08328 163.9
[M+H-H2O]+ 255.11738 155.1
[M+HCOO]- 317.11832 186.1
[M+CH3COO]- 331.13397 175.3
[M+Na-2H]- 293.09479 168.9
[M]+ 272.11957 161.9
[M]- 272.12067 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.