CID 126688657

2089241-91-6

Structural Information

Molecular Formula

C₅H₈ClFO₂S

SMILES

C1C(CC1F)CS(=O)(=O)Cl

InChI

InChI=1S/C5H8ClFO2S/c6-10(8,9)3-4-1-5(7)2-4/h4-5H,1-3H2

InChIKey

KUMROZZCNLJEEG-UHFFFAOYSA-N

Compound name

(3-fluorocyclobutyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.99176 Da
Monoisotopic Mass: 1.5
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]+	186.99904	123.8
[M+Na]+	208.98098	131.6
[M-H]-	184.98448	126.4
[M+NH4]+	204.02558	138.5
[M+K]+	224.95492	131.3
[M+H-H2O]+	168.98902	114.2
[M+HCOO]-	230.98996	134.8
[M+CH3COO]-	245.00561	179.8
[M+Na-2H]-	206.96643	127.2
[M]+	185.99121	134.3
[M]-	185.99231	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe