CID 24229216

900514-05-8

Structural Information

Molecular Formula
C8H7ClN2
SMILES
C1=CNC2=NC=C(C=C21)CCl
InChI
InChI=1S/C8H7ClN2/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,5H,4H2,(H,10,11)
InChIKey
JFFYVBLKJFBLSX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.02977 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.4
[M+Na]+ 189.01899 144.7
[M+NH4]+ 184.06359 139.1
[M+K]+ 204.99293 138.5
[M-H]- 165.02249 131.1
[M+Na-2H]- 187.00444 137.4
[M]+ 166.02922 132.4
[M]- 166.03032 132.4
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

patents stripe