CID 2466468

2-chloro-n-(3-chloro-4-cyanophenyl)acetamide

Structural Information

Molecular Formula
C9H6Cl2N2O
SMILES
C1=CC(=C(C=C1NC(=O)CCl)Cl)C#N
InChI
InChI=1S/C9H6Cl2N2O/c10-4-9(14)13-7-2-1-6(5-12)8(11)3-7/h1-3H,4H2,(H,13,14)
InChIKey
FSBJKVDUYDPVGA-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-chloro-4-cyanophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98572 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.