CID 36550

2-chloro-n-(3,5-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C8H6Cl3NO
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=O)CCl
InChI
InChI=1S/C8H6Cl3NO/c9-4-8(13)12-7-2-5(10)1-6(11)3-7/h1-3H,4H2,(H,12,13)
InChIKey
ZRTPLHDJASYNPE-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

33
Patents

236.95149 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95877 144.9
[M+Na]+ 259.94071 159.1
[M+NH4]+ 254.98531 153.8
[M+K]+ 275.91465 151.2
[M-H]- 235.94421 147.1
[M+Na-2H]- 257.92616 151.9
[M]+ 236.95094 148.4
[M]- 236.95204 148.4
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