CID 21498346

2,2,3,3-tetrafluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₃ClF₄O₂S

SMILES

C(C(C(F)F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C3H3ClF4O2S/c4-11(9,10)1-3(7,8)2(5)6/h2H,1H2

InChIKey

NVFNFJVPKWOWLY-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoropropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 213.94785 Da
Monoisotopic Mass: 1.9
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]+	214.95513	128.0
[M+Na]+	236.93707	137.9
[M-H]-	212.94057	124.0
[M+NH4]+	231.98167	147.8
[M+K]+	252.91101	134.7
[M+H-H2O]+	196.94511	121.8
[M+HCOO]-	258.94605	135.6
[M+CH3COO]-	272.96170	180.8
[M+Na-2H]-	234.92252	131.2
[M]+	213.94730	126.9
[M]-	213.94840	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe