CID 82280555

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

Structural Information

Molecular Formula
C4H5BrN2O
SMILES
CCC1=NN=C(O1)Br
InChI
InChI=1S/C4H5BrN2O/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKey
ZJBPVXIGKVNGKC-UHFFFAOYSA-N
Compound name
2-bromo-5-ethyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.95853 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96581 131.4
[M+Na]+ 198.94775 134.6
[M+NH4]+ 193.99235 135.8
[M+K]+ 214.92169 136.8
[M-H]- 174.95125 131.5
[M+Na-2H]- 196.93320 133.8
[M]+ 175.95798 130.6
[M]- 175.95908 130.6
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

No patent data available for this compound.