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 153.9
[M+Na]+ 294.02832 164.0
[M-H]- 270.03182 154.2
[M+NH4]+ 289.07292 167.8
[M+K]+ 310.00226 157.7
[M+H-H2O]+ 254.03636 143.3
[M+HCOO]- 316.03730 167.2
[M+CH3COO]- 330.05295 196.4
[M+Na-2H]- 292.01377 157.6
[M]+ 271.03855 150.4
[M]- 271.03965 150.4
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.