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-fluoropyridin-2-yl)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]+ 172.05908 131.2
[M+Na]+ 194.04102 140.0
[M-H]- 170.04452 132.7
[M+NH4]+ 189.08562 151.2
[M+K]+ 210.01496 137.4
[M+H-H2O]+ 154.04906 124.2
[M+HCOO]- 216.05000 147.4
[M+CH3COO]- 230.06565 179.5
[M+Na-2H]- 192.02647 134.1
[M]+ 171.05125 132.1
[M]- 171.05235 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.