CID 24229219

3-iodo-1h-pyrrolo[2,3-b]pyridine-5-carbaldehyde

Structural Information

Molecular Formula
C8H5IN2O
SMILES
C1=C(C=NC2=C1C(=CN2)I)C=O
InChI
InChI=1S/C8H5IN2O/c9-7-3-11-8-6(7)1-5(4-12)2-10-8/h1-4H,(H,10,11)
InChIKey
DLDQOJMZUSYGSE-UHFFFAOYSA-N
Compound name
3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

271.94467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95195 133.5
[M+Na]+ 294.93389 138.0
[M-H]- 270.93739 128.1
[M+NH4]+ 289.97849 149.1
[M+K]+ 310.90783 139.9
[M+H-H2O]+ 254.94193 123.6
[M+HCOO]- 316.94287 151.6
[M+CH3COO]- 330.95852 143.6
[M+Na-2H]- 292.91934 129.9
[M]+ 271.94412 132.2
[M]- 271.94522 132.2
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