CID 22476236

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

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CNC2=C(C=CN=C21)Cl
InChI
InChI=1S/C7H5ClN2/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4,10H
InChIKey
ZBEYLQBHTDNDDR-UHFFFAOYSA-N
Compound name
7-chloro-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

152.01413 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 124.8
[M+Na]+ 175.00335 140.3
[M+NH4]+ 170.04795 134.7
[M+K]+ 190.97729 134.3
[M-H]- 151.00685 126.5
[M+Na-2H]- 172.98880 133.0
[M]+ 152.01358 127.8
[M]- 152.01468 127.8
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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