CID 67700

6-fluorohexyl methanesulfonate

Structural Information

Molecular Formula

C₇H₁₅FO₃S

SMILES

CS(=O)(=O)OCCCCCCF

InChI

InChI=1S/C7H15FO3S/c1-12(9,10)11-7-5-3-2-4-6-8/h2-7H2,1H3

InChIKey

BVZXIDIOUXQHHX-UHFFFAOYSA-N

Compound name

6-fluorohexyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.07259 Da
Monoisotopic Mass: 1.4
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]+	199.07987	140.1
[M+Na]+	221.06181	147.6
[M-H]-	197.06531	139.1
[M+NH4]+	216.10641	160.0
[M+K]+	237.03575	146.1
[M+H-H2O]+	181.06985	134.3
[M+HCOO]-	243.07079	156.6
[M+CH3COO]-	257.08644	181.3
[M+Na-2H]-	219.04726	143.3
[M]+	198.07204	145.1
[M]-	198.07314	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.