CID 24212890

20648-12-8

Structural Information

Molecular Formula
C14H10BrN3O2
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H10BrN3O2/c1-17-13-7-6-11(18(19)20)8-12(13)16-14(17)9-2-4-10(15)5-3-9/h2-8H,1H3
InChIKey
YGBPUZVNCZHWHH-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-methyl-5-nitrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.99564 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00292 169.5
[M+Na]+ 353.98486 176.1
[M+NH4]+ 349.02946 174.2
[M+K]+ 369.95880 178.2
[M-H]- 329.98836 172.8
[M+Na-2H]- 351.97031 174.1
[M]+ 330.99509 170.3
[M]- 330.99619 170.3
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.