CID 182054

N-(3,5-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C8H7Cl2NO
SMILES
CC(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c1-5(12)11-8-3-6(9)2-7(10)4-8/h2-4H,1H3,(H,11,12)
InChIKey
BJWFSDFXPISTBZ-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

202.99046 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99774 137.7
[M+Na]+ 225.97968 147.7
[M-H]- 201.98318 141.2
[M+NH4]+ 221.02428 158.2
[M+K]+ 241.95362 142.9
[M+H-H2O]+ 185.98772 134.1
[M+HCOO]- 247.98866 153.4
[M+CH3COO]- 262.00431 185.3
[M+Na-2H]- 223.96513 142.8
[M]+ 202.98991 140.3
[M]- 202.99101 140.3
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