CID 12616

4-fluorobutanesulphonyl fluoride

Structural Information

Molecular Formula

C₄H₈F₂O₂S

SMILES

C(CCS(=O)(=O)F)CF

InChI

InChI=1S/C4H8F2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2

InChIKey

PXNUJGUIDKQODS-UHFFFAOYSA-N

Compound name

4-fluorobutane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 158.0213 Da
Monoisotopic Mass: 1.2
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]+	159.02858	125.2
[M+Na]+	181.01052	134.1
[M-H]-	157.01402	123.4
[M+NH4]+	176.05512	146.7
[M+K]+	196.98446	132.5
[M+H-H2O]+	141.01856	119.2
[M+HCOO]-	203.01950	141.4
[M+CH3COO]-	217.03515	173.1
[M+Na-2H]-	178.99597	129.2
[M]+	158.02075	126.4
[M]-	158.02185	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe