CID 217577

1,2-diphenylpent-4-yn-1-one

Structural Information

Molecular Formula
C17H14O
SMILES
C#CCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H14O/c1-2-9-16(14-10-5-3-6-11-14)17(18)15-12-7-4-8-13-15/h1,3-8,10-13,16H,9H2
InChIKey
XMRCGIXNEFRKLH-UHFFFAOYSA-N
Compound name
1,2-diphenylpent-4-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 157.0
[M+Na]+ 257.09368 170.9
[M+NH4]+ 252.13828 162.3
[M+K]+ 273.06762 159.7
[M-H]- 233.09718 153.4
[M+Na-2H]- 255.07913 163.1
[M]+ 234.10391 157.3
[M]- 234.10501 157.3
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.