CID 9870

Methyl fluorosulfate

Structural Information

Molecular Formula

SMILES

COS(=O)(=O)F

InChI

InChI=1S/CH3FO3S/c1-5-6(2,3)4/h1H3

InChIKey

MBXNQZHITVCSLJ-UHFFFAOYSA-N

Compound name

fluorosulfonyloxymethane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3284
Patents: 113.97869 Da
Monoisotopic Mass: 0.2
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]+	114.98597	112.8
[M+Na]+	136.96791	122.8
[M-H]-	112.97141	112.9
[M+NH4]+	132.01251	136.0
[M+K]+	152.94185	122.8
[M+H-H2O]+	96.975950	108.2
[M+HCOO]-	158.97689	131.2
[M+CH3COO]-	172.99254	163.2
[M+Na-2H]-	134.95336	118.9
[M]+	113.97814	115.5
[M]-	113.97924	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe