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	130.6
[M+Na]+	175.05633	137.0
[M-H]-	151.05983	128.2
[M+NH4]+	170.10093	151.6
[M+K]+	191.03027	135.4
[M+H-H2O]+	135.06437	125.0
[M+HCOO]-	197.06531	145.5
[M+CH3COO]-	211.08096	174.0
[M+Na-2H]-	173.04178	131.8
[M]+	152.06656	131.6
[M]-	152.06766	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.