CID 64802

1,3-diphenylpropan-1-one

Structural Information

Molecular Formula
C15H14O
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N
Compound name
1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

233
References

21475
Patents

210.10446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 148.1
[M+Na]+ 233.09368 163.2
[M+NH4]+ 228.13828 157.7
[M+K]+ 249.06762 154.4
[M-H]- 209.09718 153.3
[M+Na-2H]- 231.07913 158.8
[M]+ 210.10391 151.9
[M]- 210.10501 151.9
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