CID 44588768

Chembl483595

Structural Information

Molecular Formula
C16H10Cl2FN3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C16H10Cl2FN3OS2/c17-9-5-6-10(11(18)7-9)15-16(25-22-21-15)24-8-14(23)20-13-4-2-1-3-12(13)19/h1-7H,8H2,(H,20,23)
InChIKey
ZDGFAUSUKLUTSI-UHFFFAOYSA-N
Compound name
2-[4-(2,4-dichlorophenyl)thiadiazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.96265 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.96993 183.7
[M+Na]+ 435.95187 194.9
[M-H]- 411.95537 190.0
[M+NH4]+ 430.99647 195.8
[M+K]+ 451.92581 185.9
[M+H-H2O]+ 395.95991 176.3
[M+HCOO]- 457.96085 186.7
[M+CH3COO]- 471.97650 193.5
[M+Na-2H]- 433.93732 181.5
[M]+ 412.96210 189.3
[M]- 412.96320 189.3
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.