CID 21595359

3-bromo-5-(bromomethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C3H2Br2N2O
SMILES
C(C1=NC(=NO1)Br)Br
InChI
InChI=1S/C3H2Br2N2O/c4-1-2-6-3(5)7-8-2/h1H2
InChIKey
TWKMZSDPRBTXPI-UHFFFAOYSA-N
Compound name
3-bromo-5-(bromomethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.8534 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.86068 144.9
[M+Na]+ 262.84262 139.9
[M+NH4]+ 257.88722 146.6
[M+K]+ 278.81656 147.5
[M-H]- 238.84612 145.2
[M+Na-2H]- 260.82807 145.5
[M]+ 239.85285 143.1
[M]- 239.85395 143.1
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