CID 53418423

5-bromo-3-ethyl-1,2,4-thiadiazole

Structural Information

Molecular Formula
C4H5BrN2S
SMILES
CCC1=NSC(=N1)Br
InChI
InChI=1S/C4H5BrN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
InChIKey
BCJRSKLUHYJWCD-UHFFFAOYSA-N
Compound name
5-bromo-3-ethyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.93568 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94296 125.5
[M+Na]+ 214.92490 128.5
[M+NH4]+ 209.96950 131.0
[M+K]+ 230.89884 128.7
[M-H]- 190.92840 125.3
[M+Na-2H]- 212.91035 128.5
[M]+ 191.93513 125.0
[M]- 191.93623 125.0
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.