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 150.0
[M+Na]+ 299.98472 161.3
[M-H]- 275.98822 150.6
[M+NH4]+ 295.02932 166.0
[M+K]+ 315.95866 154.8
[M+H-H2O]+ 259.99276 140.9
[M+HCOO]- 321.99370 159.6
[M+CH3COO]- 336.00935 194.9
[M+Na-2H]- 297.97017 150.2
[M]+ 276.99495 148.0
[M]- 276.99605 148.0
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.