CID 24229280

5-chloro-1h-pyrrolo[2,3-b]pyridine-4-carbaldehyde

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1=CNC2=NC=C(C(=C21)C=O)Cl
InChI
InChI=1S/C8H5ClN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11)
InChIKey
PHZFFVFGFZWMFD-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

180.00903 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.016306 132.1
[M+Na]+ 202.998248 144.9
[M-H]- 179.001754 133.5
[M+NH4]+ 198.042853 153.0
[M+K]+ 218.972188 139.4
[M+H-H2O]+ 163.006290 126.3
[M+HCOO]- 225.007231 150.7
[M+CH3COO]- 239.022881 146.5
[M+Na-2H]- 200.983696 140.0
[M]+ 180.00848142 135.2
[M]- 180.00957858 135.2
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