CID 612903

Perfluorobutanesulfinyl chloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4ClF9OS/c5-16(15)4(13,14)2(8,9)1(6,7)3(10,11)12

InChIKey

NZTIKPWWXCHFQI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 301.92148 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]+	302.92876	140.6
[M+Na]+	324.91070	150.6
[M-H]-	300.91420	130.7
[M+NH4]+	319.95530	156.2
[M+K]+	340.88464	146.4
[M+H-H2O]+	284.91874	130.4
[M+HCOO]-	346.91968	139.5
[M+CH3COO]-	360.93533	198.0
[M+Na-2H]-	322.89615	142.6
[M]+	301.92093	131.0
[M]-	301.92203	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe