CID 67838

Bis(2-fluoroethyl) sulfate

Structural Information

Molecular Formula

C₄H₈F₂O₄S

SMILES

C(CF)OS(=O)(=O)OCCF

InChI

InChI=1S/C4H8F2O4S/c5-1-3-9-11(7,8)10-4-2-6/h1-4H2

InChIKey

PUJBCRZKHQJZSC-UHFFFAOYSA-N

Compound name

bis(2-fluoroethyl) sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 190.01114 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]+	191.01842	131.5
[M+Na]+	213.00036	140.0
[M-H]-	189.00386	129.4
[M+NH4]+	208.04496	151.4
[M+K]+	228.97430	139.3
[M+H-H2O]+	173.00840	125.0
[M+HCOO]-	235.00934	148.1
[M+CH3COO]-	249.02499	177.1
[M+Na-2H]-	210.98581	135.8
[M]+	190.01059	135.5
[M]-	190.01169	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe