CID 3422379

2-(2,6-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C8H7Cl2NO
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)N)Cl
InChI
InChI=1S/C8H7Cl2NO/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKey
KEPLFZWNVMCJLI-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

202.99046 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.997736 138.0
[M+Na]+ 225.979678 148.0
[M-H]- 201.983184 141.0
[M+NH4]+ 221.024283 158.2
[M+K]+ 241.953618 142.8
[M+H-H2O]+ 185.987720 134.5
[M+HCOO]- 247.988661 153.1
[M+CH3COO]- 262.004311 185.3
[M+Na-2H]- 223.965126 142.1
[M]+ 202.98991142 139.7
[M]- 202.99100858 139.7
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

patents stripe