CID 786184

299198-19-9

Structural Information

Molecular Formula
C13H8F3N3OS2
SMILES
C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)N
InChI
InChI=1S/C13H8F3N3OS2/c14-13(15,16)8-4-9(10-2-1-3-21-10)19-12(7(8)5-17)22-6-11(18)20/h1-4H,6H2,(H2,18,20)
InChIKey
LNLIHASOZZDHMS-UHFFFAOYSA-N
Compound name
2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01338 165.9
[M+Na]+ 365.99532 173.6
[M+NH4]+ 361.03992 167.9
[M+K]+ 381.96926 164.3
[M-H]- 341.99882 157.2
[M+Na-2H]- 363.98077 166.9
[M]+ 343.00555 164.2
[M]- 343.00665 164.2
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.