CID 469421

2-chloro-5,6-diiodo-1h-benzimidazole

Structural Information

Molecular Formula
C7H3ClI2N2
SMILES
C1=C2C(=CC(=C1I)I)N=C(N2)Cl
InChI
InChI=1S/C7H3ClI2N2/c8-7-11-5-1-3(9)4(10)2-6(5)12-7/h1-2H,(H,11,12)
InChIKey
BGBRLSYRYSFBEC-UHFFFAOYSA-N
Compound name
2-chloro-5,6-diiodo-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

403.80743 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.81471 134.9
[M+Na]+ 426.79665 132.8
[M-H]- 402.80015 124.9
[M+NH4]+ 421.84125 144.6
[M+K]+ 442.77059 139.5
[M+H-H2O]+ 386.80469 123.8
[M+HCOO]- 448.80563 142.8
[M+CH3COO]- 462.82128 140.3
[M+Na-2H]- 424.78210 125.2
[M]+ 403.80688 132.4
[M]- 403.80798 132.4
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.