CID 5383392

3,4-diphenyl-but-3-en-2-one

Structural Information

Molecular Formula
C16H14O
SMILES
CC(=O)/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+
InChIKey
PXTNHINUEHWZIX-FOWTUZBSSA-N
Compound name
(Z)-3,4-diphenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

222.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 150.6
[M+Na]+ 245.093678 156.5
[M-H]- 221.097184 156.9
[M+NH4]+ 240.138283 168.2
[M+K]+ 261.067618 152.4
[M+H-H2O]+ 205.101720 143.3
[M+HCOO]- 267.102661 173.0
[M+CH3COO]- 281.118311 189.5
[M+Na-2H]- 243.079126 155.2
[M]+ 222.10391142 149.1
[M]- 222.10500858 149.1
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.