CID 46942231

4,4-difluorocyclohexanecarboxamide

Structural Information

Molecular Formula

C₇H₁₁F₂NO

SMILES

C1CC(CCC1C(=O)N)(F)F

InChI

InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11)

InChIKey

JKPXYSGFTYLPTJ-UHFFFAOYSA-N

Compound name

4,4-difluorocyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 163.08087 Da
Monoisotopic Mass: 1.0
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]+	164.08815	131.8
[M+Na]+	186.07009	138.0
[M-H]-	162.07359	132.0
[M+NH4]+	181.11469	153.6
[M+K]+	202.04403	136.7
[M+H-H2O]+	146.07813	125.5
[M+HCOO]-	208.07907	150.3
[M+CH3COO]-	222.09472	178.6
[M+Na-2H]-	184.05554	135.2
[M]+	163.08032	123.2
[M]-	163.08142	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe