CID 1598096

2,5-bis((4-fluorobenzyl)thio)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C16H12F2N2S3
SMILES
C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)F)F
InChI
InChI=1S/C16H12F2N2S3/c17-13-5-1-11(2-6-13)9-21-15-19-20-16(23-15)22-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKey
BAMLFYAMTVTUFU-UHFFFAOYSA-N
Compound name
2,5-bis[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.01306 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02034 171.8
[M+Na]+ 389.00228 184.2
[M+NH4]+ 384.04688 179.9
[M+K]+ 404.97622 172.4
[M-H]- 365.00578 175.2
[M+Na-2H]- 386.98773 178.6
[M]+ 366.01251 175.9
[M]- 366.01361 175.9
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.