CID 112756377

(3,3-difluorocyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₁ClF₂O₂S

SMILES

C1CC(CC(C1)(F)F)CS(=O)(=O)Cl

InChI

InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-6-2-1-3-7(9,10)4-6/h6H,1-5H2

InChIKey

QSPHSERFSNKLAW-UHFFFAOYSA-N

Compound name

(3,3-difluorocyclohexyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.01364 Da
Monoisotopic Mass: 2.5
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	140.2
[M+Na]+	255.002858	148.5
[M-H]-	231.006364	141.1
[M+NH4]+	250.047463	161.3
[M+K]+	270.976798	144.7
[M+H-H2O]+	215.010900	135.5
[M+HCOO]-	277.011841	148.5
[M+CH3COO]-	291.027491	182.9
[M+Na-2H]-	252.988306	143.4
[M]+	232.01309142	138.6
[M]-	232.01418858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.