CID 11258

Brn 0146202

Structural Information

Molecular Formula

C₁₀H₁₁FS₂

SMILES

CC1(SCCS1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H11FS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3

InChIKey

OMBQOFRGXONJGP-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-2-methyl-1,3-dithiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.02863 Da
Monoisotopic Mass: 3.2
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]+	215.03591	140.5
[M+Na]+	237.01785	149.6
[M-H]-	213.02135	146.0
[M+NH4]+	232.06245	163.8
[M+K]+	252.99179	145.4
[M+H-H2O]+	197.02589	135.0
[M+HCOO]-	259.02683	152.6
[M+CH3COO]-	273.04248	153.6
[M+Na-2H]-	235.00330	141.1
[M]+	214.02808	139.6
[M]-	214.02918	139.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.