CID 9748

372-70-3

Structural Information

Molecular Formula

C₆H₁₂F₂O₂S

SMILES

C(CCCS(=O)(=O)F)CCF

InChI

InChI=1S/C6H12F2O2S/c7-5-3-1-2-4-6-11(8,9)10/h1-6H2

InChIKey

VBDIRKCYFKHOAR-UHFFFAOYSA-N

Compound name

6-fluorohexane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.05261 Da
Monoisotopic Mass: 1.9
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]+	187.05989	134.3
[M+Na]+	209.04183	142.4
[M-H]-	185.04533	132.1
[M+NH4]+	204.08643	154.6
[M+K]+	225.01577	140.3
[M+H-H2O]+	169.04987	127.9
[M+HCOO]-	231.05081	149.9
[M+CH3COO]-	245.06646	179.1
[M+Na-2H]-	207.02728	137.3
[M]+	186.05206	136.3
[M]-	186.05316	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe