CID 25227087

Chembl521342

Structural Information

Molecular Formula
C16H10F2N4O3S2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)F)F)[N+](=O)[O-]
InChI
InChI=1S/C16H10F2N4O3S2/c17-9-5-6-10(11(18)7-9)15-16(27-21-20-15)26-8-14(23)19-12-3-1-2-4-13(12)22(24)25/h1-7H,8H2,(H,19,23)
InChIKey
KKXKVAYMVYRQJX-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)thiadiazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.01624 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02352 182.6
[M+Na]+ 431.00546 190.0
[M-H]- 407.00896 187.6
[M+NH4]+ 426.05006 191.6
[M+K]+ 446.97940 178.3
[M+H-H2O]+ 391.01350 176.4
[M+HCOO]- 453.01444 194.5
[M+CH3COO]- 467.03009 214.3
[M+Na-2H]- 428.99091 184.0
[M]+ 408.01569 181.3
[M]- 408.01679 181.3
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.