CID 19969182

1613309-12-8

Structural Information

Molecular Formula
C11H9ClO
SMILES
C=CC(=O)/C=C/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H9ClO/c1-2-11(13)8-5-9-3-6-10(12)7-4-9/h2-8H,1H2/b8-5+
InChIKey
YFOMCUJFCGJLJI-VMPITWQZSA-N
Compound name
(1E)-1-(4-chlorophenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04148 138.1
[M+Na]+ 215.02342 147.2
[M-H]- 191.02692 141.7
[M+NH4]+ 210.06802 158.7
[M+K]+ 230.99736 141.9
[M+H-H2O]+ 175.03146 133.5
[M+HCOO]- 237.03240 157.3
[M+CH3COO]- 251.04805 181.9
[M+Na-2H]- 213.00887 143.0
[M]+ 192.03365 139.8
[M]- 192.03475 139.8
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.