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]+ 257.02431 156.5
[M+Na]+ 279.00625 167.3
[M-H]- 255.00975 159.4
[M+NH4]+ 274.05085 173.0
[M+K]+ 294.98019 161.2
[M+H-H2O]+ 239.01429 146.0
[M+HCOO]- 301.01523 167.8
[M+CH3COO]- 315.03088 206.8
[M+Na-2H]- 276.99170 158.5
[M]+ 256.01648 154.4
[M]- 256.01758 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.