CID 113850

63744-56-9

Structural Information

Molecular Formula

SMILES

CCCSCC(CF)O

InChI

InChI=1S/C6H13FOS/c1-2-3-9-5-6(8)4-7/h6,8H,2-5H2,1H3

InChIKey

ADYKVEHQAPQRJV-UHFFFAOYSA-N

Compound name

1-fluoro-3-propylsulfanylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.06711 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]+	153.07439	132.1
[M+Na]+	175.05633	140.6
[M+NH4]+	170.10093	139.9
[M+K]+	191.03027	133.4
[M-H]-	151.05983	130.2
[M+Na-2H]-	173.04178	134.0
[M]+	152.06656	132.9
[M]-	152.06766	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.