CID 693146

2-cyano-n-(2,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)CC#N
InChI
InChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKey
XSNWFABKENMBQB-UHFFFAOYSA-N
Compound name
2-cyano-N-(2,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

227.98572 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99300 148.0
[M+Na]+ 250.97494 159.7
[M-H]- 226.97844 151.0
[M+NH4]+ 246.01954 165.5
[M+K]+ 266.94888 153.7
[M+H-H2O]+ 210.98298 137.7
[M+HCOO]- 272.98392 160.6
[M+CH3COO]- 286.99957 200.7
[M+Na-2H]- 248.96039 152.0
[M]+ 227.98517 145.7
[M]- 227.98627 145.7
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