CID 64624483

5-bromo-1,3,4-thiadiazol-2-ol

Structural Information

Molecular Formula
C2HBrN2OS
SMILES
C1(=O)NN=C(S1)Br
InChI
InChI=1S/C2HBrN2OS/c3-1-4-5-2(6)7-1/h(H,5,6)
InChIKey
ZWIOTWHVBKTDMU-UHFFFAOYSA-N
Compound name
5-bromo-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.8993 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.906576 115.4
[M+Na]+ 202.888518 130.8
[M-H]- 178.892024 119.5
[M+NH4]+ 197.933123 138.8
[M+K]+ 218.862458 119.7
[M+H-H2O]+ 162.896560 116.4
[M+HCOO]- 224.897501 132.5
[M+CH3COO]- 238.913151 170.7
[M+Na-2H]- 200.873966 122.2
[M]+ 179.89875142 134.9
[M]- 179.89984858 134.9
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