CID 318171

Bis(2,2,2-trifluoroethyl) sulfite

Structural Information

Molecular Formula

C₄H₄F₆O₃S

SMILES

C(C(F)(F)F)OS(=O)OCC(F)(F)F

InChI

InChI=1S/C4H4F6O3S/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2

InChIKey

HVNOLEGWKGMONA-UHFFFAOYSA-N

Compound name

bis(2,2,2-trifluoroethyl) sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 245.97853 Da
Monoisotopic Mass: 2.4
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]+	246.98581	165.5
[M+Na]+	268.96775	168.0
[M+NH4]+	264.01235	166.8
[M+K]+	284.94169	164.2
[M-H]-	244.97125	156.4
[M+Na-2H]-	266.95320	163.0
[M]+	245.97798	163.1
[M]-	245.97908	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe