CID 25219536

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

Structural Information

Molecular Formula
C3H3BrN2O
SMILES
CC1=NN=C(O1)Br
InChI
InChI=1S/C3H3BrN2O/c1-2-5-6-3(4)7-2/h1H3
InChIKey
KLFIDXBWKMWDOF-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

161.94289 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.95017 120.2
[M+Na]+ 184.93211 134.4
[M-H]- 160.93561 125.3
[M+NH4]+ 179.97671 142.8
[M+K]+ 200.90605 126.4
[M+H-H2O]+ 144.94015 120.4
[M+HCOO]- 206.94109 141.9
[M+CH3COO]- 220.95674 173.1
[M+Na-2H]- 182.91756 130.4
[M]+ 161.94234 140.6
[M]- 161.94344 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe