CID 26076409

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

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=CN=C2C(=C1Cl)C=CN2
InChI
InChI=1S/C8H7ClN2/c1-5-4-11-8-6(7(5)9)2-3-10-8/h2-4H,1H3,(H,10,11)
InChIKey
LIMOUCQGJZDFKP-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

70
Patents

166.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 130.0
[M+Na]+ 189.01899 142.6
[M-H]- 165.02249 131.4
[M+NH4]+ 184.06359 151.6
[M+K]+ 204.99293 137.2
[M+H-H2O]+ 149.02703 124.3
[M+HCOO]- 211.02797 148.2
[M+CH3COO]- 225.04362 144.5
[M+Na-2H]- 187.00444 137.9
[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

literature stripe

Patent stripe

patents stripe