CID 6434368

Brn 2271912

Structural Information

Molecular Formula
C11H11Cl2NO2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NCCO
InChI
InChI=1S/C11H11Cl2NO2/c12-9-3-1-8(10(13)7-9)2-4-11(16)14-5-6-15/h1-4,7,15H,5-6H2,(H,14,16)/b4-2+
InChIKey
AZEGZDIMCZFTHR-DUXPYHPUSA-N
Compound name
(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.0167 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02398 153.6
[M+Na]+ 282.00592 162.3
[M-H]- 258.00942 155.4
[M+NH4]+ 277.05052 171.2
[M+K]+ 297.97986 155.8
[M+H-H2O]+ 242.01396 149.7
[M+HCOO]- 304.01490 167.4
[M+CH3COO]- 318.03055 192.2
[M+Na-2H]- 279.99137 156.7
[M]+ 259.01615 156.2
[M]- 259.01725 156.2
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.