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

19
Patents

250.96715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97443 148.7
[M+Na]+ 273.95637 158.2
[M-H]- 249.95987 150.8
[M+NH4]+ 269.00097 167.2
[M+K]+ 289.93031 152.2
[M+H-H2O]+ 233.96441 145.5
[M+HCOO]- 295.96535 158.6
[M+CH3COO]- 309.98100 193.6
[M+Na-2H]- 271.94182 152.1
[M]+ 250.96660 151.8
[M]- 250.96770 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