CID 346030

2,2-dichloro-n-(4-chloro-phenyl)-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 143.8
[M+Na]+ 259.94071 152.6
[M-H]- 235.94421 145.8
[M+NH4]+ 254.98531 162.5
[M+K]+ 275.91465 147.2
[M+H-H2O]+ 219.94875 140.8
[M+HCOO]- 281.94969 153.1
[M+CH3COO]- 295.96534 190.4
[M+Na-2H]- 257.92616 147.4
[M]+ 236.95094 145.7
[M]- 236.95204 145.7
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