CID 216862

Brn 2106394

Structural Information

Molecular Formula
C12H21Cl2NO
SMILES
CC(C)(C)C1CCC(CC1)NC(=O)C(Cl)Cl
InChI
InChI=1S/C12H21Cl2NO/c1-12(2,3)8-4-6-9(7-5-8)15-11(16)10(13)14/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKey
SLDNYOBJCBGWDF-UHFFFAOYSA-N
Compound name
N-(4-tert-butylcyclohexyl)-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

265.1 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10728 160.3
[M+Na]+ 288.08922 169.9
[M+NH4]+ 283.13382 168.3
[M+K]+ 304.06316 164.0
[M-H]- 264.09272 161.3
[M+Na-2H]- 286.07467 163.7
[M]+ 265.09945 162.3
[M]- 265.10055 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.