CID 3689031

2-chloro-n-(4-chlorophenyl)propanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.00612 Da
Monoisotopic Mass

2.7
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

patents stripe