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
Annotation Hits: 0
References: 0
Patents: 265.1 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.10728	161.3
[M+Na]+	288.08922	166.0
[M-H]-	264.09272	163.3
[M+NH4]+	283.13382	179.0
[M+K]+	304.06316	161.6
[M+H-H2O]+	248.09726	157.5
[M+HCOO]-	310.09820	169.0
[M+CH3COO]-	324.11385	197.6
[M+Na-2H]-	286.07467	161.6
[M]+	265.09945	159.7
[M]-	265.10055	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe