CID 59588

N-(4-butylcyclohexyl)-2,2-dichloroacetamide

Structural Information

Molecular Formula
C12H21Cl2NO
SMILES
CCCCC1CCC(CC1)NC(=O)C(Cl)Cl
InChI
InChI=1S/C12H21Cl2NO/c1-2-3-4-9-5-7-10(8-6-9)15-12(16)11(13)14/h9-11H,2-8H2,1H3,(H,15,16)
InChIKey
YEQUZEGDSPDTBU-UHFFFAOYSA-N
Compound name
N-(4-butylcyclohexyl)-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10728 159.3
[M+Na]+ 288.08922 169.3
[M+NH4]+ 283.13382 167.5
[M+K]+ 304.06316 162.2
[M-H]- 264.09272 161.0
[M+Na-2H]- 286.07467 162.9
[M]+ 265.09945 161.5
[M]- 265.10055 161.5
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.