CID 1415755

477333-53-2

Structural Information

Molecular Formula
C15H17FN2OS3
SMILES
CC(C)(C)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)F
InChI
InChI=1S/C15H17FN2OS3/c1-15(2,3)12(19)9-21-14-18-17-13(22-14)20-8-10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
WQXXNZQTVBFNBT-UHFFFAOYSA-N
Compound name
1-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0487 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05598 178.9
[M+Na]+ 379.03792 188.5
[M+NH4]+ 374.08252 185.9
[M+K]+ 395.01186 178.8
[M-H]- 355.04142 179.9
[M+Na-2H]- 377.02337 182.3
[M]+ 356.04815 181.9
[M]- 356.04925 181.9
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.