CID 165565453

2913228-96-1

Structural Information

Molecular Formula

C₇H₁₄FNO₂S

SMILES

C1CC(CCC1CS(=O)(=O)F)N

InChI

InChI=1S/C7H14FNO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h6-7H,1-5,9H2

InChIKey

JSJIRJJVNHKEME-UHFFFAOYSA-N

Compound name

(4-aminocyclohexyl)methanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.07292 Da
Monoisotopic Mass: 0.7
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]+	196.080196	138.6
[M+Na]+	218.062138	144.6
[M-H]-	194.065644	139.8
[M+NH4]+	213.106743	157.7
[M+K]+	234.036078	142.0
[M+H-H2O]+	178.070180	132.4
[M+HCOO]-	240.071121	152.6
[M+CH3COO]-	254.086771	181.0
[M+Na-2H]-	216.047586	140.4
[M]+	195.07237142	134.1
[M]-	195.07346858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.