CID 68965

592-61-0

Structural Information

Molecular Formula

C₅H₁₁FO₃S

SMILES

CS(=O)(=O)OCCCCF

InChI

InChI=1S/C5H11FO3S/c1-10(7,8)9-5-3-2-4-6/h2-5H2,1H3

InChIKey

ZCFWEKWCFXVHSA-UHFFFAOYSA-N

Compound name

4-fluorobutyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 170.04129 Da
Monoisotopic Mass: 0.4
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]+	171.048566	131.0
[M+Na]+	193.030508	139.4
[M-H]-	169.034014	130.4
[M+NH4]+	188.075113	152.0
[M+K]+	209.004448	138.4
[M+H-H2O]+	153.038550	125.7
[M+HCOO]-	215.039491	148.2
[M+CH3COO]-	229.055141	175.3
[M+Na-2H]-	191.015956	135.2
[M]+	170.04074142	135.3
[M]-	170.04183858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe