CID 298660

1,1,1-triphenylpropan-2-one

Structural Information

Molecular Formula
C21H18O
SMILES
CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18O/c1-17(22)21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKey
LZIVBWLOLYCDAZ-UHFFFAOYSA-N
Compound name
1,1,1-triphenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

286.13577 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14305 170.0
[M+Na]+ 309.12499 186.4
[M+NH4]+ 304.16959 179.6
[M+K]+ 325.09893 176.9
[M-H]- 285.12849 177.3
[M+Na-2H]- 307.11044 183.1
[M]+ 286.13522 174.8
[M]- 286.13632 174.8
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