CID 155978482

2624129-85-5

Structural Information

Molecular Formula

C₇H₁₁ClF₂O₂S

SMILES

C1CC(CCC(C1)(F)F)S(=O)(=O)Cl

InChI

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

InChIKey

ITENWVFUIURXHR-UHFFFAOYSA-N

Compound name

4,4-difluorocycloheptane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.01364 Da
Monoisotopic Mass: 2.7
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	134.5
[M+Na]+	255.002858	140.7
[M-H]-	231.006364	136.2
[M+NH4]+	250.047463	154.0
[M+K]+	270.976798	141.6
[M+H-H2O]+	215.010900	129.4
[M+HCOO]-	277.011841	142.6
[M+CH3COO]-	291.027491	184.7
[M+Na-2H]-	252.988306	137.5
[M]+	232.01309142	129.4
[M]-	232.01418858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.