CID 23092618

762272-45-7

Structural Information

Molecular Formula
C5H4FNS
SMILES
C1=C(C=NC=C1S)F
InChI
InChI=1S/C5H4FNS/c6-4-1-5(8)3-7-2-4/h1-3,8H
InChIKey
LJGOYNUUJSIITD-UHFFFAOYSA-N
Compound name
5-fluoropyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

129.00485 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.012126 117.3
[M+Na]+ 151.994068 127.8
[M-H]- 127.997574 119.3
[M+NH4]+ 147.038673 139.1
[M+K]+ 167.968008 125.5
[M+H-H2O]+ 112.002110 110.9
[M+HCOO]- 174.003051 135.6
[M+CH3COO]- 188.018701 169.7
[M+Na-2H]- 149.979516 122.9
[M]+ 129.00430142 117.8
[M]- 129.00539858 117.8
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

patents stripe