CID 131396577

2415019-21-3

Structural Information

Molecular Formula

C₇H₁₄FNO₂S

SMILES

C1CC(CCNC1)CS(=O)(=O)F

InChI

InChI=1S/C7H14FNO2S/c8-12(10,11)6-7-2-1-4-9-5-3-7/h7,9H,1-6H2

InChIKey

AKANOGCTHNYZHV-UHFFFAOYSA-N

Compound name

azepan-4-ylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.07292 Da
Monoisotopic Mass: 0.8
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]+	196.080196	135.3
[M+Na]+	218.062138	138.4
[M-H]-	194.065644	135.1
[M+NH4]+	213.106743	151.3
[M+K]+	234.036078	140.5
[M+H-H2O]+	178.070180	128.7
[M+HCOO]-	240.071121	145.8
[M+CH3COO]-	254.086771	177.8
[M+Na-2H]-	216.047586	137.4
[M]+	195.07237142	127.7
[M]-	195.07346858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.