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 167.2
[M+Na]+ 353.98486 180.2
[M-H]- 329.98836 176.1
[M+NH4]+ 349.02946 184.6
[M+K]+ 369.95880 164.3
[M+H-H2O]+ 313.99290 169.4
[M+HCOO]- 375.99384 189.3
[M+CH3COO]- 390.00949 200.0
[M+Na-2H]- 351.97031 175.8
[M]+ 330.99509 187.6
[M]- 330.99619 187.6
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.