CID 532268

2-chloro-n-(3-chlorophenyl)propanamide

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
CC(C(=O)NC1=CC(=CC=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)
InChIKey
RMICMLBMAQRUJI-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00612 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.013396 142.4
[M+Na]+ 239.995338 150.9
[M-H]- 215.998844 145.6
[M+NH4]+ 235.039943 162.1
[M+K]+ 255.969278 146.2
[M+H-H2O]+ 200.003380 138.5
[M+HCOO]- 262.004321 156.9
[M+CH3COO]- 276.019971 188.0
[M+Na-2H]- 237.980786 146.5
[M]+ 217.00557142 144.6
[M]- 217.00666858 144.6
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

No patent data available for this compound.