CID 155821996

2503208-89-5

Structural Information

Molecular Formula

C₇H₁₁ClF₂O₂S

SMILES

CC1(CCC(C1)(F)F)CS(=O)(=O)Cl

InChI

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

InChIKey

WVERRAYQCQVZKQ-UHFFFAOYSA-N

Compound name

(3,3-difluoro-1-methylcyclopentyl)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	139.4
[M+Na]+	255.002858	149.7
[M-H]-	231.006364	141.0
[M+NH4]+	250.047463	164.4
[M+K]+	270.976798	146.0
[M+H-H2O]+	215.010900	136.3
[M+HCOO]-	277.011841	149.8
[M+CH3COO]-	291.027491	182.4
[M+Na-2H]-	252.988306	143.1
[M]+	232.01309142	140.4
[M]-	232.01418858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.