CID 89465995

1428237-71-1

Structural Information

Molecular Formula

C₄H₄BrClF₄O₂S

SMILES

C(CS(=O)(=O)Cl)C(C(F)(F)Br)(F)F

InChI

InChI=1S/C4H4BrClF4O2S/c5-4(9,10)3(7,8)1-2-13(6,11)12/h1-2H2

InChIKey

PLGPYICAYSTZLQ-UHFFFAOYSA-N

Compound name

4-bromo-3,3,4,4-tetrafluorobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 305.874 Da
Monoisotopic Mass: 2.9
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]+	306.88128	143.2
[M+Na]+	328.86322	157.3
[M-H]-	304.86672	142.5
[M+NH4]+	323.90782	163.2
[M+K]+	344.83716	143.7
[M+H-H2O]+	288.87126	142.6
[M+HCOO]-	350.87220	148.6
[M+CH3COO]-	364.88785	193.2
[M+Na-2H]-	326.84867	149.3
[M]+	305.87345	160.6
[M]-	305.87455	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe