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

literature stripe

Patent stripe

patents stripe