CID 5150991

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

Structural Information

Molecular Formula
C9H9Cl2NO
SMILES
C1=CC=C(C(=C1)NC(=O)CCCl)Cl
InChI
InChI=1S/C9H9Cl2NO/c10-6-5-9(13)12-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13)
InChIKey
SYKFGYQIAQITOF-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

217.00612 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01340 142.8
[M+Na]+ 239.99534 151.5
[M-H]- 215.99884 145.8
[M+NH4]+ 235.03994 162.4
[M+K]+ 255.96928 146.3
[M+H-H2O]+ 200.00338 138.7
[M+HCOO]- 262.00432 158.1
[M+CH3COO]- 276.01997 187.1
[M+Na-2H]- 237.98079 148.0
[M]+ 217.00557 145.4
[M]- 217.00667 145.4
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