CID 102770205

1971176-94-9

Structural Information

Molecular Formula
C9H6F3N3S2
SMILES
C1=CC(=NC=C1C(F)(F)F)SC2=NC=C(S2)N
InChI
InChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-2-7(14-3-5)17-8-15-4-6(13)16-8/h1-4H,13H2
InChIKey
IETMUGDOICRXQS-UHFFFAOYSA-N
Compound name
2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,3-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.9955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00278 154.2
[M+Na]+ 299.98472 162.5
[M+NH4]+ 295.02932 160.2
[M+K]+ 315.95866 155.9
[M-H]- 275.98822 152.8
[M+Na-2H]- 297.97017 158.4
[M]+ 276.99495 155.5
[M]- 276.99605 155.5
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

No patent data available for this compound.