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

1
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 121.0
[M+Na]+ 214.92490 136.0
[M-H]- 190.92840 126.1
[M+NH4]+ 209.96950 144.8
[M+K]+ 230.89884 125.6
[M+H-H2O]+ 174.93294 121.7
[M+HCOO]- 236.93388 138.6
[M+CH3COO]- 250.94953 177.8
[M+Na-2H]- 212.91035 127.2
[M]+ 191.93513 142.3
[M]- 191.93623 142.3
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

patents stripe