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 140.1
[M+Na]+ 314.87652 157.1
[M-H]- 290.88002 147.4
[M+NH4]+ 309.92112 161.1
[M+K]+ 330.85046 143.4
[M+H-H2O]+ 274.88456 140.2
[M+HCOO]- 336.88550 152.6
[M+CH3COO]- 350.90115 156.3
[M+Na-2H]- 312.86197 144.5
[M]+ 291.88675 162.1
[M]- 291.88785 162.1
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.