CID 106521110

1695210-21-9

Structural Information

Molecular Formula
C8H4ClFN2OS
SMILES
C1=C(C=C(C=C1F)Cl)C2=NNC(=O)S2
InChI
InChI=1S/C8H4ClFN2OS/c9-5-1-4(2-6(10)3-5)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKey
FWDJAXYDKKSYOS-UHFFFAOYSA-N
Compound name
5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97898 143.4
[M+Na]+ 252.96092 157.3
[M+NH4]+ 248.00552 151.5
[M+K]+ 268.93486 150.2
[M-H]- 228.96442 144.5
[M+Na-2H]- 250.94637 150.1
[M]+ 229.97115 146.3
[M]- 229.97225 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.