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 161.6
[M+Na]+ 324.00472 170.9
[M+NH4]+ 319.04932 167.8
[M+K]+ 339.97866 163.5
[M-H]- 300.00822 161.6
[M+Na-2H]- 321.99017 165.7
[M]+ 301.01495 163.5
[M]- 301.01605 163.5
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.