CID 63386207

2-(5-bromo-2-fluorophenyl)-5-chloro-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H3BrClFN2S
SMILES
C1=CC(=C(C=C1Br)C2=NN=C(S2)Cl)F
InChI
InChI=1S/C8H3BrClFN2S/c9-4-1-2-6(11)5(3-4)7-12-13-8(10)14-7/h1-3H
InChIKey
WQRYBAOTGQCDRF-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-fluorophenyl)-5-chloro-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.8873 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.89458 146.2
[M+Na]+ 314.87652 151.4
[M+NH4]+ 309.92112 151.6
[M+K]+ 330.85046 150.0
[M-H]- 290.88002 147.0
[M+Na-2H]- 312.86197 150.8
[M]+ 291.88675 146.7
[M]- 291.88785 146.7
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.