CID 3084809

2,4-pentadienoyl chloride, 5-phenyl-

Structural Information

Molecular Formula
C11H9ClO
SMILES
C1=CC=C(C=C1)C=CC=CC(=O)Cl
InChI
InChI=1S/C11H9ClO/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H
InChIKey
VBSYMODXUFYOLA-UHFFFAOYSA-N
Compound name
5-phenylpenta-2,4-dienoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

213
Patents

192.0342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.041476 139.3
[M+Na]+ 215.023418 147.5
[M-H]- 191.026924 142.6
[M+NH4]+ 210.068023 159.6
[M+K]+ 230.997358 142.2
[M+H-H2O]+ 175.031460 134.5
[M+HCOO]- 237.032401 158.5
[M+CH3COO]- 251.048051 180.1
[M+Na-2H]- 213.008866 144.8
[M]+ 192.03365142 140.5
[M]- 192.03474858 140.5
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