CID 95329

Dypnone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

198
Patents

222.10446 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 150.6
[M+Na]+ 245.09368 156.5
[M-H]- 221.09718 156.9
[M+NH4]+ 240.13828 168.2
[M+K]+ 261.06762 152.4
[M+H-H2O]+ 205.10172 143.3
[M+HCOO]- 267.10266 173.0
[M+CH3COO]- 281.11831 189.5
[M+Na-2H]- 243.07913 155.2
[M]+ 222.10391 149.1
[M]- 222.10501 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

literature stripe

Patent stripe

patents stripe