CID 139036072

1982380-63-1

Structural Information

Molecular Formula

C₁₀H₆F₂N₂S₂

SMILES

C1=CN=C(C=C1SSC2=CC(=NC=C2)F)F

InChI

InChI=1S/C10H6F2N2S2/c11-9-5-7(1-3-13-9)15-16-8-2-4-14-10(12)6-8/h1-6H

InChIKey

ILJNXOBREIHHQK-UHFFFAOYSA-N

Compound name

2-fluoro-4-[(2-fluoro-4-pyridinyl)disulfanyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.99405 Da
Monoisotopic Mass: 2.8
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]+	257.00133	144.1
[M+Na]+	278.98327	155.3
[M-H]-	254.98677	145.9
[M+NH4]+	274.02787	159.5
[M+K]+	294.95721	148.4
[M+H-H2O]+	238.99131	134.9
[M+HCOO]-	300.99225	154.6
[M+CH3COO]-	315.00790	155.9
[M+Na-2H]-	276.96872	146.4
[M]+	255.99350	144.5
[M]-	255.99460	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe