CID 46856430

3-iodo-1h-pyrrolo[3,2-b]pyridine

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CC2=C(C(=CN2)I)N=C1
InChI
InChI=1S/C7H5IN2/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4,10H
InChIKey
ZLVQSDNBINQPHB-UHFFFAOYSA-N
Compound name
3-iodo-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

243.94975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.957026 126.0
[M+Na]+ 266.938968 130.0
[M-H]- 242.942474 120.4
[M+NH4]+ 261.983573 142.6
[M+K]+ 282.912908 132.2
[M+H-H2O]+ 226.947010 116.3
[M+HCOO]- 288.947951 144.2
[M+CH3COO]- 302.963601 136.4
[M+Na-2H]- 264.924416 123.8
[M]+ 243.94920142 123.5
[M]- 243.95029858 123.5
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

patents stripe