CID 346030

2,2-dichloro-n-(4-chlorophenyl)acetamide

Structural Information

Molecular Formula
C8H6Cl3NO
SMILES
C1=CC(=CC=C1NC(=O)C(Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl3NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
InChIKey
PZDAVLWZYYLGOR-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

236.95149 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95877 145.5
[M+Na]+ 259.94071 159.0
[M+NH4]+ 254.98531 154.3
[M+K]+ 275.91465 151.7
[M-H]- 235.94421 147.4
[M+Na-2H]- 257.92616 152.3
[M]+ 236.95094 148.7
[M]- 236.95204 148.7
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

patents stripe