CID 462687

4,5,6,7-tetrabromo-2-iodo-1h-benzimidazole

Structural Information

Molecular Formula

C₇HBr₄IN₂

SMILES

C12=C(C(=C(C(=C1Br)Br)Br)Br)N=C(N2)I

InChI

InChI=1S/C7HBr4IN2/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h(H,13,14)

InChIKey

RNXKYUDCQQUQKY-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrabromo-2-iodo-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 555.5918 Da
Monoisotopic Mass: 4.6
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]+	556.59908	144.5
[M+Na]+	578.58102	149.7
[M-H]-	554.58452	146.0
[M+NH4]+	573.62562	153.3
[M+K]+	594.55496	139.7
[M+H-H2O]+	538.58906	161.0
[M+HCOO]-	600.59000	148.9
[M+CH3COO]-	614.60565	151.3
[M+Na-2H]-	576.56647	144.3
[M]+	555.59125	180.5
[M]-	555.59235	180.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.