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 140.7
[M+Na]+ 252.96092 153.7
[M-H]- 228.96442 143.7
[M+NH4]+ 248.00552 159.2
[M+K]+ 268.93486 147.3
[M+H-H2O]+ 212.96896 134.0
[M+HCOO]- 274.96990 153.4
[M+CH3COO]- 288.98555 154.1
[M+Na-2H]- 250.94637 142.3
[M]+ 229.97115 142.7
[M]- 229.97225 142.7
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.