CID 950392

477329-72-9

Structural Information

Molecular Formula
C11H10FN3OS3
SMILES
C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)N)F
InChI
InChI=1S/C11H10FN3OS3/c12-8-3-1-7(2-4-8)5-17-10-14-15-11(19-10)18-6-9(13)16/h1-4H,5-6H2,(H2,13,16)
InChIKey
CSGRWNXDPDGOOX-UHFFFAOYSA-N
Compound name
2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.997 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00428 160.6
[M+Na]+ 337.98622 170.4
[M-H]- 313.98972 162.5
[M+NH4]+ 333.03082 174.7
[M+K]+ 353.96016 162.3
[M+H-H2O]+ 297.99426 153.1
[M+HCOO]- 359.99520 166.5
[M+CH3COO]- 374.01085 170.5
[M+Na-2H]- 335.97167 158.7
[M]+ 314.99645 161.5
[M]- 314.99755 161.5
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.