CID 2389991

2-chloro-n-(5-chloro-2-cyanophenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.992996 148.0
[M+Na]+ 250.974938 159.7
[M-H]- 226.978444 151.0
[M+NH4]+ 246.019543 165.5
[M+K]+ 266.948878 153.7
[M+H-H2O]+ 210.982980 137.7
[M+HCOO]- 272.983921 160.6
[M+CH3COO]- 286.999571 200.7
[M+Na-2H]- 248.960386 152.0
[M]+ 227.98517142 145.7
[M]- 227.98626858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.