CID 670655

N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

Structural Information

Molecular Formula
C11H9F2N3OS2
SMILES
CC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H9F2N3OS2/c1-6-15-16-11(19-6)18-5-10(17)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,14,17)
InChIKey
MOMWFYZCFGIGNC-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

301.0155 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02278 158.2
[M+Na]+ 324.00472 168.8
[M-H]- 300.00822 160.5
[M+NH4]+ 319.04932 173.5
[M+K]+ 339.97866 162.5
[M+H-H2O]+ 284.01276 149.4
[M+HCOO]- 346.01370 169.5
[M+CH3COO]- 360.02935 201.4
[M+Na-2H]- 321.99017 156.7
[M]+ 301.01495 159.9
[M]- 301.01605 159.9
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.