CID 114771265

2-bromo-5-(oxolan-2-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
C1CC(OC1)C2=NN=C(O2)Br
InChI
InChI=1S/C6H7BrN2O2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h4H,1-3H2
InChIKey
HVBOOHVTIASESM-UHFFFAOYSA-N
Compound name
2-bromo-5-(oxolan-2-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.96909 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.976366 138.3
[M+Na]+ 240.958308 150.3
[M-H]- 216.961814 146.4
[M+NH4]+ 236.002913 158.6
[M+K]+ 256.932248 143.7
[M+H-H2O]+ 200.966350 138.3
[M+HCOO]- 262.967291 157.8
[M+CH3COO]- 276.982941 154.1
[M+Na-2H]- 238.943756 144.9
[M]+ 217.96854142 157.3
[M]- 217.96963858 157.3
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

No patent data available for this compound.