CID 119082615

5-fluoro-2-isothiocyanatopyridine

Structural Information

Molecular Formula
C6H3FN2S
SMILES
C1=CC(=NC=C1F)N=C=S
InChI
InChI=1S/C6H3FN2S/c7-5-1-2-6(8-3-5)9-4-10/h1-3H
InChIKey
ADOMWEFPQGBTLT-UHFFFAOYSA-N
Compound name
5-fluoro-2-isothiocyanatopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.00009 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00737 124.2
[M+Na]+ 176.98931 134.5
[M-H]- 152.99281 127.3
[M+NH4]+ 172.03391 145.2
[M+K]+ 192.96325 131.3
[M+H-H2O]+ 136.99735 117.0
[M+HCOO]- 198.99829 145.0
[M+CH3COO]- 213.01394 177.6
[M+Na-2H]- 174.97476 130.1
[M]+ 153.99954 124.6
[M]- 154.00064 124.6
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.