CID 64624692

2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H4BrN3O3S
SMILES
C1=CC(=CC(=C1)OC2=NN=C(S2)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H4BrN3O3S/c9-7-10-11-8(16-7)15-6-3-1-2-5(4-6)12(13)14/h1-4H
InChIKey
KFBGPQSOZCOQGY-UHFFFAOYSA-N
Compound name
2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.91568 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.92296 148.0
[M+Na]+ 323.90490 151.9
[M+NH4]+ 318.94950 152.3
[M+K]+ 339.87884 154.8
[M-H]- 299.90840 149.9
[M+Na-2H]- 321.89035 152.2
[M]+ 300.91513 148.2
[M]- 300.91623 148.2
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.