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]+ 180.90658 115.4
[M+Na]+ 202.88852 130.8
[M-H]- 178.89202 119.5
[M+NH4]+ 197.93312 138.8
[M+K]+ 218.86246 119.7
[M+H-H2O]+ 162.89656 116.4
[M+HCOO]- 224.89750 132.5
[M+CH3COO]- 238.91315 170.7
[M+Na-2H]- 200.87397 122.2
[M]+ 179.89875 134.9
[M]- 179.89985 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