CID 25227088

Chembl484564

Structural Information

Molecular Formula
C16H10F3N3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)F)F)F
InChI
InChI=1S/C16H10F3N3OS2/c17-9-5-6-10(12(19)7-9)15-16(25-22-21-15)24-8-14(23)20-13-4-2-1-3-11(13)18/h1-7H,8H2,(H,20,23)
InChIKey
BVSVUENHNAVGRB-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)thiadiazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.02173 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.02901 177.2
[M+Na]+ 404.01095 188.1
[M-H]- 380.01445 181.3
[M+NH4]+ 399.05555 189.1
[M+K]+ 419.98489 179.6
[M+H-H2O]+ 364.01899 166.6
[M+HCOO]- 426.01993 187.6
[M+CH3COO]- 440.03558 187.0
[M+Na-2H]- 401.99640 175.0
[M]+ 381.02118 177.9
[M]- 381.02228 177.9
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.