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 177.5
[M+Na]+ 365.99532 188.6
[M-H]- 341.99882 178.6
[M+NH4]+ 361.03992 190.2
[M+K]+ 381.96926 182.6
[M+H-H2O]+ 326.00336 161.9
[M+HCOO]- 388.00430 183.3
[M+CH3COO]- 402.01995 217.5
[M+Na-2H]- 363.98077 174.4
[M]+ 343.00555 171.5
[M]- 343.00665 171.5
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.