CID 145755019

1,2-bis(2-fluoropyridin-3-yl)disulfane

Structural Information

Molecular Formula
C10H6F2N2S2
SMILES
C1=CC(=C(N=C1)F)SSC2=C(N=CC=C2)F
InChI
InChI=1S/C10H6F2N2S2/c11-9-7(3-1-5-13-9)15-16-8-4-2-6-14-10(8)12/h1-6H
InChIKey
NCSKRPNFAIAAMO-UHFFFAOYSA-N
Compound name
2-fluoro-3-[(2-fluoropyridin-3-yl)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

Adduct m/z Predicted CCS (Ų)
[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
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