CID 66329483

1505372-23-5

Structural Information

Molecular Formula
C11H8F3N3S
SMILES
C1=CN=C(C=C1C(F)(F)F)SC2=C(C=NC=C2)N
InChI
InChI=1S/C11H8F3N3S/c12-11(13,14)7-1-4-17-10(5-7)18-9-2-3-16-6-8(9)15/h1-6H,15H2
InChIKey
FEVXPATYJNVKRY-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)pyridin-2-yl]sulfanylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0391 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04638 154.9
[M+Na]+ 294.02832 165.3
[M+NH4]+ 289.07292 160.7
[M+K]+ 310.00226 158.0
[M-H]- 270.03182 154.1
[M+Na-2H]- 292.01377 161.4
[M]+ 271.03855 156.4
[M]- 271.03965 156.4
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.