CID 24212892

21444-62-2

Structural Information

Molecular Formula
C12H8BrN3O3
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C3=CC=C(O3)Br
InChI
InChI=1S/C12H8BrN3O3/c1-15-9-3-2-7(16(17)18)6-8(9)14-12(15)10-4-5-11(13)19-10/h2-6H,1H3
InChIKey
JUGJAJRUTMHESS-UHFFFAOYSA-N
Compound name
2-(5-bromofuran-2-yl)-1-methyl-5-nitrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.9749 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.98218 170.0
[M+Na]+ 343.96412 175.1
[M+NH4]+ 339.00872 174.0
[M+K]+ 359.93806 180.1
[M-H]- 319.96762 173.1
[M+Na-2H]- 341.94957 172.2
[M]+ 320.97435 170.4
[M]- 320.97545 170.4
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.