CID 162396676

2:2 fluorotelomer alcohol sulfate

Structural Information

Molecular Formula

C₄H₅F₅O₄S

SMILES

C(COS(=O)(=O)O)C(C(F)(F)F)(F)F

InChI

InChI=1S/C4H5F5O4S/c5-3(6,4(7,8)9)1-2-13-14(10,11)12/h1-2H2,(H,10,11,12)

InChIKey

QXFRKSXYXQTUIP-UHFFFAOYSA-N

Compound name

3,3,4,4,4-pentafluorobutyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 243.98286 Da
Monoisotopic Mass: 1.3
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]+	244.99014	139.2
[M+Na]+	266.97208	147.9
[M-H]-	242.97558	132.0
[M+NH4]+	262.01668	155.9
[M+K]+	282.94602	145.9
[M+H-H2O]+	226.98012	131.0
[M+HCOO]-	288.98106	148.1
[M+CH3COO]-	302.99671	183.3
[M+Na-2H]-	264.95753	143.4
[M]+	243.98231	136.0
[M]-	243.98341	136.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.