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

49
Patents

243.94975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95703 130.4
[M+Na]+ 266.93897 136.9
[M+NH4]+ 261.98357 135.3
[M+K]+ 282.91291 135.2
[M-H]- 242.94247 125.7
[M+Na-2H]- 264.92442 125.6
[M]+ 243.94920 128.9
[M]- 243.95030 128.9
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