CID 63384082

2-bromo-5-(2-fluoro-4-nitrophenyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H3BrFN3O2S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)C2=NN=C(S2)Br
InChI
InChI=1S/C8H3BrFN3O2S/c9-8-12-11-7(16-8)5-2-1-4(13(14)15)3-6(5)10/h1-3H
InChIKey
NVRUSABSTYHTPM-UHFFFAOYSA-N
Compound name
2-bromo-5-(2-fluoro-4-nitrophenyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.91135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.91863 148.3
[M+Na]+ 325.90057 152.0
[M+NH4]+ 320.94517 152.4
[M+K]+ 341.87451 154.6
[M-H]- 301.90407 149.3
[M+Na-2H]- 323.88602 151.9
[M]+ 302.91080 148.2
[M]- 302.91190 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.