CID 43120188

5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C10H8BrClN2O
SMILES
C1=CC(=CC=C1CC2=NC(=NO2)CCl)Br
InChI
InChI=1S/C10H8BrClN2O/c11-8-3-1-7(2-4-8)5-10-13-9(6-12)14-15-10/h1-4H,5-6H2
InChIKey
FVQWOLJBGITBIS-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-3-(chloromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.95084 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.95812 151.4
[M+Na]+ 308.94006 165.6
[M-H]- 284.94356 159.0
[M+NH4]+ 303.98466 170.0
[M+K]+ 324.91400 153.9
[M+H-H2O]+ 268.94810 150.7
[M+HCOO]- 330.94904 167.7
[M+CH3COO]- 344.96469 166.6
[M+Na-2H]- 306.92551 158.7
[M]+ 285.95029 174.1
[M]- 285.95139 174.1
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

No patent data available for this compound.