CID 296681

3,4-diphenylbut-3-en-2-one

Structural Information

Molecular Formula
C16H14O
SMILES
CC(=O)C(=CC1=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
InChIKey
PXTNHINUEHWZIX-UHFFFAOYSA-N
Compound name
3,4-diphenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

30
Patents

222.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 151.8
[M+Na]+ 245.09368 166.3
[M+NH4]+ 240.13828 160.8
[M+K]+ 261.06762 158.0
[M-H]- 221.09718 156.5
[M+Na-2H]- 243.07913 161.7
[M]+ 222.10391 155.3
[M]- 222.10501 155.3
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