CID 54592467

2-chloro-n-[1-(4-chlorophenyl)ethyl]-n-methylacetamide

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CC(C1=CC=C(C=C1)Cl)N(C)C(=O)CCl
InChI
InChI=1S/C11H13Cl2NO/c1-8(14(2)11(15)7-12)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
SNTJAMYDIOVCFP-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03741 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 151.0
[M+Na]+ 268.02663 158.9
[M-H]- 244.03013 155.4
[M+NH4]+ 263.07123 170.2
[M+K]+ 284.00057 155.0
[M+H-H2O]+ 228.03467 146.5
[M+HCOO]- 290.03561 165.4
[M+CH3COO]- 304.05126 197.3
[M+Na-2H]- 266.01208 153.4
[M]+ 245.03686 155.3
[M]- 245.03796 155.3
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.