CID 21061734

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

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=CC2=C(N1)N=C(C=C2)Cl
InChI
InChI=1S/C8H7ClN2/c1-5-4-6-2-3-7(9)11-8(6)10-5/h2-4H,1H3,(H,10,11)
InChIKey
HCVQDCUBIIQDCA-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

166.02977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.3
[M+Na]+ 189.01899 145.0
[M+NH4]+ 184.06359 139.0
[M+K]+ 204.99293 139.0
[M-H]- 165.02249 131.1
[M+Na-2H]- 187.00444 137.0
[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.

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