CID 208723

2-butyn-1-one, 4-phenoxy-1-phenyl-

Structural Information

Molecular Formula
C16H12O2
SMILES
C1=CC=C(C=C1)C(=O)C#CCOC2=CC=CC=C2
InChI
InChI=1S/C16H12O2/c17-16(14-8-3-1-4-9-14)12-7-13-18-15-10-5-2-6-11-15/h1-6,8-11H,13H2
InChIKey
UHWWPWHEWBLCNJ-UHFFFAOYSA-N
Compound name
4-phenoxy-1-phenylbut-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.08372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 156.6
[M+Na]+ 259.07294 170.5
[M+NH4]+ 254.11754 161.6
[M+K]+ 275.04688 159.2
[M-H]- 235.07644 152.6
[M+Na-2H]- 257.05839 162.7
[M]+ 236.08317 156.7
[M]- 236.08427 156.7
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