CID 4671103

N-(2,4-dichlorophenyl)hexanamide

Structural Information

Molecular Formula
C12H15Cl2NO
SMILES
CCCCCC(=O)NC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H15Cl2NO/c1-2-3-4-5-12(16)15-11-7-6-9(13)8-10(11)14/h6-8H,2-5H2,1H3,(H,15,16)
InChIKey
VICBOHZBJQSBJO-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06035 156.3
[M+Na]+ 282.04229 164.7
[M-H]- 258.04579 159.2
[M+NH4]+ 277.08689 174.7
[M+K]+ 298.01623 158.9
[M+H-H2O]+ 242.05033 151.9
[M+HCOO]- 304.05127 170.7
[M+CH3COO]- 318.06692 197.1
[M+Na-2H]- 280.02774 159.3
[M]+ 259.05252 160.5
[M]- 259.05362 160.5
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

No patent data available for this compound.