CID 75355861

2-bromo-5-cyclopropyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
C1CC1C2=NN=C(O2)Br
InChI
InChI=1S/C5H5BrN2O/c6-5-8-7-4(9-5)3-1-2-3/h3H,1-2H2
InChIKey
CDPWXZZYEQFJFI-UHFFFAOYSA-N
Compound name
2-bromo-5-cyclopropyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

187.95853 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.965806 134.5
[M+Na]+ 210.947748 149.7
[M-H]- 186.951254 143.1
[M+NH4]+ 205.992353 151.4
[M+K]+ 226.921688 140.2
[M+H-H2O]+ 170.955790 133.4
[M+HCOO]- 232.956731 155.8
[M+CH3COO]- 246.972381 150.5
[M+Na-2H]- 208.933196 143.1
[M]+ 187.95798142 155.6
[M]- 187.95907858 155.6
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