CID 2744656

Maybridge3_007186

Structural Information

Molecular Formula
C12H10FN5S4
SMILES
CSC1=NN(C(=S)S1)CSC2=NNC(=N2)C3=CC=CC=C3F
InChI
InChI=1S/C12H10FN5S4/c1-20-11-17-18(12(19)22-11)6-21-10-14-9(15-16-10)7-4-2-3-5-8(7)13/h2-5H,6H2,1H3,(H,14,15,16)
InChIKey
YUFZMVHOTBVOIU-UHFFFAOYSA-N
Compound name
3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

370.98032 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98760 168.6
[M+Na]+ 393.96954 184.9
[M-H]- 369.97304 170.7
[M+NH4]+ 389.01414 179.7
[M+K]+ 409.94348 173.2
[M+H-H2O]+ 353.97758 163.8
[M+HCOO]- 415.97852 169.4
[M+CH3COO]- 429.99417 178.4
[M+Na-2H]- 391.95499 164.9
[M]+ 370.97977 169.9
[M]- 370.98087 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.