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

73
Patents

187.95853 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 134.5
[M+Na]+ 210.94775 149.7
[M-H]- 186.95125 143.1
[M+NH4]+ 205.99235 151.4
[M+K]+ 226.92169 140.2
[M+H-H2O]+ 170.95579 133.4
[M+HCOO]- 232.95673 155.8
[M+CH3COO]- 246.97238 150.5
[M+Na-2H]- 208.93320 143.1
[M]+ 187.95798 155.6
[M]- 187.95908 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