CID 112585612

1-(5-fluoropyridin-2-yl)propane-1-thiol

Structural Information

Molecular Formula
C8H10FNS
SMILES
CCC(C1=NC=C(C=C1)F)S
InChI
InChI=1S/C8H10FNS/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5,8,11H,2H2,1H3
InChIKey
SXHSSPOHRZRKFW-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-pyridinyl)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0518 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.059076 131.2
[M+Na]+ 194.041018 140.0
[M-H]- 170.044524 132.7
[M+NH4]+ 189.085623 151.2
[M+K]+ 210.014958 137.4
[M+H-H2O]+ 154.049060 124.2
[M+HCOO]- 216.050001 147.4
[M+CH3COO]- 230.065651 179.5
[M+Na-2H]- 192.026466 134.1
[M]+ 171.05125142 132.1
[M]- 171.05234858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.