CID 154577329

2418658-62-3

Structural Information

Molecular Formula

C₃H₄BrClF₂O₂S

SMILES

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

InChI

InChI=1S/C3H4BrClF2O2S/c4-3(6,7)1-2-10(5,8)9/h1-2H2

InChIKey

LLGYIASJZQFUPA-UHFFFAOYSA-N

Compound name

3-bromo-3,3-difluoropropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.8772 Da
Monoisotopic Mass: 2.3
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]+	256.88448	131.8
[M+Na]+	278.86642	146.1
[M-H]-	254.86992	133.6
[M+NH4]+	273.91102	154.0
[M+K]+	294.84036	133.0
[M+H-H2O]+	238.87446	132.9
[M+HCOO]-	300.87540	140.8
[M+CH3COO]-	314.89105	184.7
[M+Na-2H]-	276.85187	138.7
[M]+	255.87665	152.0
[M]-	255.87775	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.