CID 146049020

2386662-87-7

Structural Information

Molecular Formula

C₇H₁₁ClF₂O₂S

SMILES

CC(C1(CCC1)CS(=O)(=O)Cl)(F)F

InChI

InChI=1S/C7H11ClF2O2S/c1-6(9,10)7(3-2-4-7)5-13(8,11)12/h2-5H2,1H3

InChIKey

JTTGHEYQPSKJKC-UHFFFAOYSA-N

Compound name

[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.01364 Da
Monoisotopic Mass: 2.6
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]+	233.020916	137.3
[M+Na]+	255.002858	144.4
[M-H]-	231.006364	138.3
[M+NH4]+	250.047463	151.8
[M+K]+	270.976798	143.7
[M+H-H2O]+	215.010900	128.0
[M+HCOO]-	277.011841	145.2
[M+CH3COO]-	291.027491	187.1
[M+Na-2H]-	252.988306	141.9
[M]+	232.01309142	146.8
[M]-	232.01418858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.