CID 3316160

2-chloro-n-[1-(2,4-dichlorophenyl)ethyl]acetamide

Structural Information

Molecular Formula
C10H10Cl3NO
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CCl
InChI
InChI=1S/C10H10Cl3NO/c1-6(14-10(15)5-11)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKey
CPEIIDYZXPPDDE-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

264.9828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99008 152.5
[M+Na]+ 287.97202 161.4
[M-H]- 263.97552 154.6
[M+NH4]+ 283.01662 170.4
[M+K]+ 303.94596 155.6
[M+H-H2O]+ 247.98006 149.4
[M+HCOO]- 309.98100 161.2
[M+CH3COO]- 323.99665 197.3
[M+Na-2H]- 285.95747 154.4
[M]+ 264.98225 155.5
[M]- 264.98335 155.5
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