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 176.8
[M+Na]+ 379.03792 186.0
[M-H]- 355.04142 179.0
[M+NH4]+ 374.08252 190.0
[M+K]+ 395.01186 178.4
[M+H-H2O]+ 339.04596 169.3
[M+HCOO]- 401.04690 180.0
[M+CH3COO]- 415.06255 209.7
[M+Na-2H]- 377.02337 173.8
[M]+ 356.04815 180.0
[M]- 356.04925 180.0
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.