CID 16226966

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

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
CC(C(=O)NC1=CC=CC=C1Cl)Cl
InChI
InChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,13)
InChIKey
DFYYFDYUOVGYGP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.00612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 142.4
[M+Na]+ 239.99534 150.9
[M-H]- 215.99884 145.6
[M+NH4]+ 235.03994 162.1
[M+K]+ 255.96928 146.2
[M+H-H2O]+ 200.00338 138.5
[M+HCOO]- 262.00432 156.9
[M+CH3COO]- 276.01997 188.0
[M+Na-2H]- 237.98079 146.5
[M]+ 217.00557 144.6
[M]- 217.00667 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

patents stripe