CID 23227837

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

Structural Information

Molecular Formula
C4H5BrN2S
SMILES
CCC1=NN=C(S1)Br
InChI
InChI=1S/C4H5BrN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKey
PZTSIRIHHWRTPI-UHFFFAOYSA-N
Compound name
2-bromo-5-ethyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

191.93568 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.942956 121.0
[M+Na]+ 214.924898 136.0
[M-H]- 190.928404 126.1
[M+NH4]+ 209.969503 144.8
[M+K]+ 230.898838 125.6
[M+H-H2O]+ 174.932940 121.7
[M+HCOO]- 236.933881 138.6
[M+CH3COO]- 250.949531 177.8
[M+Na-2H]- 212.910346 127.2
[M]+ 191.93513142 142.3
[M]- 191.93622858 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