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

15
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

literature stripe

Patent stripe

patents stripe