CID 324955

2991-84-6

Structural Information

Molecular Formula

C₄ClF₉O₂S

SMILES

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

InChI

InChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)2(8,9)1(6,7)3(10,11)12

InChIKey

IRFCLLARAUQTNK-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 329
Patents: 317.91638 Da
Monoisotopic Mass: 3.6
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]+	318.92366	189.6
[M+Na]+	340.90560	190.1
[M+NH4]+	335.95020	188.9
[M+K]+	356.87954	187.1
[M-H]-	316.90910	181.0
[M+Na-2H]-	338.89105	185.9
[M]+	317.91583	187.2
[M]-	317.91693	187.2

Literature stripe

literature stripe

Patent stripe

patents stripe