CID 19392586

145934-57-2

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=C(NC2=C1C=CC=N2)Cl
InChI
InChI=1S/C8H7ClN2/c1-5-6-3-2-4-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
ACPYFEOHCDNPLJ-UHFFFAOYSA-N
Compound name
2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

166.02977 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe