CID 4114579

5,6-dibromo-2-ethyl-1h-benzimidazole

Structural Information

Molecular Formula
C9H8Br2N2
SMILES
CCC1=NC2=CC(=C(C=C2N1)Br)Br
InChI
InChI=1S/C9H8Br2N2/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2H2,1H3,(H,12,13)
InChIKey
AISSHVKDEWSZKG-UHFFFAOYSA-N
Compound name
5,6-dibromo-2-ethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.90543 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.91271 141.0
[M+Na]+ 324.89465 154.5
[M-H]- 300.89815 146.4
[M+NH4]+ 319.93925 160.5
[M+K]+ 340.86859 138.7
[M+H-H2O]+ 284.90269 149.5
[M+HCOO]- 346.90363 156.5
[M+CH3COO]- 360.91928 155.7
[M+Na-2H]- 322.88010 148.9
[M]+ 301.90488 176.1
[M]- 301.90598 176.1
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.