CID 63383343

2-bromo-5-(1,2-oxazol-3-yl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C5H2BrN3OS
SMILES
C1=CON=C1C2=NN=C(S2)Br
InChI
InChI=1S/C5H2BrN3OS/c6-5-8-7-4(11-5)3-1-2-10-9-3/h1-2H
InChIKey
BSBPZRPVKNMTBV-UHFFFAOYSA-N
Compound name
3-(5-bromo-1,3,4-thiadiazol-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.9102 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.91748 126.8
[M+Na]+ 253.89942 144.0
[M-H]- 229.90292 135.3
[M+NH4]+ 248.94402 148.4
[M+K]+ 269.87336 135.1
[M+H-H2O]+ 213.90746 127.6
[M+HCOO]- 275.90840 146.4
[M+CH3COO]- 289.92405 144.7
[M+Na-2H]- 251.88487 133.6
[M]+ 230.90965 150.8
[M]- 230.91075 150.8
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.