CID 144398

2-chloro-n-[(2-chlorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1=CC=C(C(=C1)CNC(=O)CCl)Cl
InChI
InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H,12,13)
InChIKey
VBEJPDDXBGNGEA-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2-chlorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

217.00612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 142.8
[M+Na]+ 239.99534 151.5
[M-H]- 215.99884 145.8
[M+NH4]+ 235.03994 162.4
[M+K]+ 255.96928 146.3
[M+H-H2O]+ 200.00338 138.7
[M+HCOO]- 262.00432 158.1
[M+CH3COO]- 276.01997 187.1
[M+Na-2H]- 237.98079 148.0
[M]+ 217.00557 145.4
[M]- 217.00667 145.4
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