CID 67797

372-99-6

Structural Information

Molecular Formula

C₅H₁₀F₂O₂S

SMILES

C(CCF)CCS(=O)(=O)F

InChI

InChI=1S/C5H10F2O2S/c6-4-2-1-3-5-10(7,8)9/h1-5H2

InChIKey

VQSHEUCJEAGJCN-UHFFFAOYSA-N

Compound name

5-fluoropentane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.03696 Da
Monoisotopic Mass: 1.6
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]+	173.04424	129.8
[M+Na]+	195.02618	138.2
[M-H]-	171.02968	127.8
[M+NH4]+	190.07078	150.7
[M+K]+	211.00012	136.4
[M+H-H2O]+	155.03422	123.6
[M+HCOO]-	217.03516	145.6
[M+CH3COO]-	231.05081	176.1
[M+Na-2H]-	193.01163	133.3
[M]+	172.03641	131.3
[M]-	172.03751	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe