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

120
Patents

202.99046 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99774 138.0
[M+Na]+ 225.97968 148.0
[M-H]- 201.98318 141.0
[M+NH4]+ 221.02428 158.2
[M+K]+ 241.95362 142.8
[M+H-H2O]+ 185.98772 134.5
[M+HCOO]- 247.98866 153.1
[M+CH3COO]- 262.00431 185.3
[M+Na-2H]- 223.96513 142.1
[M]+ 202.98991 139.7
[M]- 202.99101 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