CID 2404879

2-chloro-n-(2,6-dichloro-3-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
CC1=C(C(=C(C=C1)Cl)NC(=O)CCl)Cl
InChI
InChI=1S/C9H8Cl3NO/c1-5-2-3-6(11)9(8(5)12)13-7(14)4-10/h2-3H,4H2,1H3,(H,13,14)
InChIKey
VLXYASFDMTYSIL-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dichloro-3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

250.96715 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97443 148.4
[M+Na]+ 273.95637 158.7
[M-H]- 249.95987 150.8
[M+NH4]+ 269.00097 167.1
[M+K]+ 289.93031 152.8
[M+H-H2O]+ 233.96441 145.5
[M+HCOO]- 295.96535 158.2
[M+CH3COO]- 309.98100 194.7
[M+Na-2H]- 271.94182 151.1
[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

literature stripe

Patent stripe

No patent data available for this compound.