CID 54428613

4,6-dibromo-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C7H4Br2N2
SMILES
C1=C(C=C(C2=C1NC=N2)Br)Br
InChI
InChI=1S/C7H4Br2N2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)
InChIKey
WFXKGQHCCZDOLT-UHFFFAOYSA-N
Compound name
4,6-dibromo-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

273.8741 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.88138 132.9
[M+Na]+ 296.86332 146.5
[M-H]- 272.86682 138.4
[M+NH4]+ 291.90792 153.1
[M+K]+ 312.83726 131.1
[M+H-H2O]+ 256.87136 141.8
[M+HCOO]- 318.87230 149.0
[M+CH3COO]- 332.88795 148.1
[M+Na-2H]- 294.84877 142.3
[M]+ 273.87355 167.3
[M]- 273.87465 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe