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: 11
Patents: 273.8741 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.881376	132.9
[M+Na]+	296.863318	146.5
[M-H]-	272.866824	138.4
[M+NH4]+	291.907923	153.1
[M+K]+	312.837258	131.1
[M+H-H2O]+	256.871360	141.8
[M+HCOO]-	318.872301	149.0
[M+CH3COO]-	332.887951	148.1
[M+Na-2H]-	294.848766	142.3
[M]+	273.87355142	167.3
[M]-	273.87464858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe