CID 71299160

1h-pyrrolo[2,3-b]pyridine-6-carboxaldehyde, 5-chloro-3-iodo-

Structural Information

Molecular Formula
C8H4ClIN2O
SMILES
C1=C2C(=CNC2=NC(=C1Cl)C=O)I
InChI
InChI=1S/C8H4ClIN2O/c9-5-1-4-6(10)2-11-8(4)12-7(5)3-13/h1-3H,(H,11,12)
InChIKey
CYDZWQDJKFBYHT-UHFFFAOYSA-N
Compound name
5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9057 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.91298 137.5
[M+Na]+ 328.89492 143.6
[M-H]- 304.89842 132.2
[M+NH4]+ 323.93952 152.9
[M+K]+ 344.86886 143.8
[M+H-H2O]+ 288.90296 128.3
[M+HCOO]- 350.90390 151.2
[M+CH3COO]- 364.91955 147.6
[M+Na-2H]- 326.88037 133.0
[M]+ 305.90515 138.4
[M]- 305.90625 138.4
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.