CID 555219

5,5-dichloro-1-phenyl-2,4-pentadien-1-one

Structural Information

Molecular Formula
C11H8Cl2O
SMILES
C1=CC=C(C=C1)C(=O)C=CC=C(Cl)Cl
InChI
InChI=1S/C11H8Cl2O/c12-11(13)8-4-7-10(14)9-5-2-1-3-6-9/h1-8H
InChIKey
SLTBUNVXRDNVFA-UHFFFAOYSA-N
Compound name
5,5-dichloro-1-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99522 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00250 145.0
[M+Na]+ 248.98444 153.3
[M-H]- 224.98794 147.7
[M+NH4]+ 244.02904 164.2
[M+K]+ 264.95838 146.9
[M+H-H2O]+ 208.99248 141.0
[M+HCOO]- 270.99342 158.2
[M+CH3COO]- 285.00907 185.7
[M+Na-2H]- 246.96989 148.6
[M]+ 225.99467 146.7
[M]- 225.99577 146.7
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

No patent data available for this compound.