CID 78988

Fluorocyclohexane

Structural Information

Molecular Formula

C₆H₁₁F

SMILES

C1CCC(CC1)F

InChI

InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

GOBGVVAHHOUMDK-UHFFFAOYSA-N

Compound name

fluorocyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5135
Patents: 102.08448 Da
Monoisotopic Mass: 2.8
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]+	103.09176	118.6
[M+Na]+	125.07370	124.1
[M-H]-	101.07720	120.2
[M+NH4]+	120.11830	141.4
[M+K]+	141.04764	123.4
[M+H-H2O]+	85.081740	112.8
[M+HCOO]-	147.08268	138.7
[M+CH3COO]-	161.09833	166.2
[M+Na-2H]-	123.05915	124.9
[M]+	102.08393	111.8
[M]-	102.08503	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe