CID 155819590

2470440-46-9

Structural Information

Molecular Formula

C₇H₁₁ClF₂O₃S

SMILES

COC1(CCC1)C(CS(=O)(=O)Cl)(F)F

InChI

InChI=1S/C7H11ClF2O3S/c1-13-6(3-2-4-6)7(9,10)5-14(8,11)12/h2-5H2,1H3

InChIKey

NXHXSXDUBOURIU-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.00854 Da
Monoisotopic Mass: 1.6
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]+	249.015816	139.8
[M+Na]+	270.997758	146.6
[M-H]-	247.001264	140.8
[M+NH4]+	266.042363	153.5
[M+K]+	286.971698	146.5
[M+H-H2O]+	231.005800	130.3
[M+HCOO]-	293.006741	147.9
[M+CH3COO]-	307.022391	189.0
[M+Na-2H]-	268.983206	144.7
[M]+	248.00799142	150.7
[M]-	248.00908858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.