CID 217577

38940-37-3

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 160.0
[M+Na]+ 257.09368 168.5
[M-H]- 233.09718 163.7
[M+NH4]+ 252.13828 174.9
[M+K]+ 273.06762 161.4
[M+H-H2O]+ 217.10172 146.6
[M+HCOO]- 279.10266 176.0
[M+CH3COO]- 293.11831 199.3
[M+Na-2H]- 255.07913 162.5
[M]+ 234.10391 153.4
[M]- 234.10501 153.4
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.