CID 132343768

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

Structural Information

Molecular Formula
C14H11ClN2
SMILES
C1=CC=C(C=C1)CC2=CNC3=NC=CC(=C23)Cl
InChI
InChI=1S/C14H11ClN2/c15-12-6-7-16-14-13(12)11(9-17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKey
BZZADIJRDMGTNJ-UHFFFAOYSA-N
Compound name
3-benzyl-4-chloro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06108 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06836 151.7
[M+Na]+ 265.05030 163.1
[M-H]- 241.05380 155.7
[M+NH4]+ 260.09490 169.7
[M+K]+ 281.02424 155.4
[M+H-H2O]+ 225.05834 143.9
[M+HCOO]- 287.05928 169.2
[M+CH3COO]- 301.07493 164.5
[M+Na-2H]- 263.03575 158.5
[M]+ 242.06053 153.8
[M]- 242.06163 153.8
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.