CID 26076417

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

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
COC1=CN=C2C(=C1Cl)C=CN2
InChI
InChI=1S/C8H7ClN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11)
InChIKey
VAHOYWJOMYELTR-UHFFFAOYSA-N
Compound name
4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

182.02469 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031966 132.9
[M+Na]+ 205.013908 145.4
[M-H]- 181.017414 134.3
[M+NH4]+ 200.058513 153.8
[M+K]+ 220.987848 140.5
[M+H-H2O]+ 165.021950 127.0
[M+HCOO]- 227.022891 151.4
[M+CH3COO]- 241.038541 147.3
[M+Na-2H]- 202.999356 140.8
[M]+ 182.02414142 136.7
[M]- 182.02523858 136.7
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