CID 6434369

3,4-dichloro-n-(2-hydroxyethyl)cinnamamide

Structural Information

Molecular Formula
C11H11Cl2NO2
SMILES
C1=CC(=C(C=C1/C=C/C(=O)NCCO)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO2/c12-9-3-1-8(7-10(9)13)2-4-11(16)14-5-6-15/h1-4,7,15H,5-6H2,(H,14,16)/b4-2+
InChIKey
NVYURPQEWPYJPG-DUXPYHPUSA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0167 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02398 153.6
[M+Na]+ 282.00592 166.2
[M+NH4]+ 277.05052 161.1
[M+K]+ 297.97986 158.8
[M-H]- 258.00942 154.8
[M+Na-2H]- 279.99137 159.0
[M]+ 259.01615 156.1
[M]- 259.01725 156.1
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.