CID 53411294

4-chlorocinnamoyl chloride

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1=CC(=CC=C1C=CC(=O)Cl)Cl
InChI
InChI=1S/C9H6Cl2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H
InChIKey
ZFOVCSTVYYYRSU-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

199.97957 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.986846 136.1
[M+Na]+ 222.968788 146.1
[M-H]- 198.972294 139.3
[M+NH4]+ 218.013393 156.8
[M+K]+ 238.942728 140.4
[M+H-H2O]+ 182.976830 132.5
[M+HCOO]- 244.977771 150.7
[M+CH3COO]- 258.993421 181.6
[M+Na-2H]- 220.954236 141.3
[M]+ 199.97902142 138.8
[M]- 199.98011858 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.