CID 2392232

2-chloro-n-[(2,4-dichlorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
C1=CC(=C(C=C1Cl)Cl)CNC(=O)CCl
InChI
InChI=1S/C9H8Cl3NO/c10-4-9(14)13-5-6-1-2-7(11)3-8(6)12/h1-3H,4-5H2,(H,13,14)
InChIKey
PTNHNOLFSVBBBD-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2,4-dichlorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

250.96715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.974426 148.7
[M+Na]+ 273.956368 158.2
[M-H]- 249.959874 150.8
[M+NH4]+ 269.000973 167.2
[M+K]+ 289.930308 152.2
[M+H-H2O]+ 233.964410 145.5
[M+HCOO]- 295.965351 158.6
[M+CH3COO]- 309.981001 193.6
[M+Na-2H]- 271.941816 152.1
[M]+ 250.96660142 151.8
[M]- 250.96769858 151.8
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

patents stripe