CID 7131388

2-chloro-n-[(3-chlorophenyl)methyl]-n-methylacetamide

Structural Information

Molecular Formula
C10H11Cl2NO
SMILES
CN(CC1=CC(=CC=C1)Cl)C(=O)CCl
InChI
InChI=1S/C10H11Cl2NO/c1-13(10(14)6-11)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3
InChIKey
XEOQNIRKKCEMOT-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-chlorophenyl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02177 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02905 146.9
[M+Na]+ 254.01099 155.4
[M-H]- 230.01449 151.3
[M+NH4]+ 249.05559 166.7
[M+K]+ 269.98493 151.3
[M+H-H2O]+ 214.01903 142.4
[M+HCOO]- 276.01997 162.5
[M+CH3COO]- 290.03562 193.5
[M+Na-2H]- 251.99644 150.9
[M]+ 231.02122 151.3
[M]- 231.02232 151.3
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

No patent data available for this compound.