CID 82281333

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

Structural Information

Molecular Formula
C5H7BrN2O
SMILES
CC(C)C1=NN=C(O1)Br
InChI
InChI=1S/C5H7BrN2O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3
InChIKey
ARYSOLWNZCESBB-UHFFFAOYSA-N
Compound name
2-bromo-5-propan-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.98146 130.4
[M+Na]+ 212.96340 143.5
[M-H]- 188.96690 135.3
[M+NH4]+ 208.00800 151.9
[M+K]+ 228.93734 135.4
[M+H-H2O]+ 172.97144 130.2
[M+HCOO]- 234.97238 150.5
[M+CH3COO]- 248.98803 179.5
[M+Na-2H]- 210.94885 138.3
[M]+ 189.97363 150.9
[M]- 189.97473 150.9
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.