CID 14745809

2-cyano-n-[1-(2,4-dichlorophenyl)ethyl]acetamide

Structural Information

Molecular Formula
C11H10Cl2N2O
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CC#N
InChI
InChI=1S/C11H10Cl2N2O/c1-7(15-11(16)4-5-14)9-3-2-8(12)6-10(9)13/h2-3,6-7H,4H2,1H3,(H,15,16)
InChIKey
OJVSVGOYUZEMQH-UHFFFAOYSA-N
Compound name
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.01703 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.024306 156.5
[M+Na]+ 279.006248 167.3
[M-H]- 255.009754 159.4
[M+NH4]+ 274.050853 173.0
[M+K]+ 294.980188 161.2
[M+H-H2O]+ 239.014290 146.0
[M+HCOO]- 301.015231 167.8
[M+CH3COO]- 315.030881 206.8
[M+Na-2H]- 276.991696 158.5
[M]+ 256.01648142 154.4
[M]- 256.01757858 154.4
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.