CID 69907

1,1-diphenylacetone

Structural Information

Molecular Formula
C15H14O
SMILES
CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKey
DBNWBEGCONIRGQ-UHFFFAOYSA-N
Compound name
1,1-diphenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1112
Patents

210.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.111736 147.0
[M+Na]+ 233.093678 152.9
[M-H]- 209.097184 153.3
[M+NH4]+ 228.138283 165.1
[M+K]+ 249.067618 149.6
[M+H-H2O]+ 193.101720 139.8
[M+HCOO]- 255.102661 169.5
[M+CH3COO]- 269.118311 188.0
[M+Na-2H]- 231.079126 152.1
[M]+ 210.10391142 145.9
[M]- 210.10500858 145.9
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