CID 24729597

1000340-80-6

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CNC2=C1C(=CC(=N2)Cl)N
InChI
InChI=1S/C7H6ClN3/c8-6-3-5(9)4-1-2-10-7(4)11-6/h1-3H,(H3,9,10,11)
InChIKey
IKFOABTXBHOTPL-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 129.9
[M+Na]+ 190.01424 142.0
[M-H]- 166.01774 130.8
[M+NH4]+ 185.05884 150.8
[M+K]+ 205.98818 136.3
[M+H-H2O]+ 150.02228 124.0
[M+HCOO]- 212.02322 148.8
[M+CH3COO]- 226.03887 143.9
[M+Na-2H]- 187.99969 137.7
[M]+ 167.02447 130.2
[M]- 167.02557 130.2
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

No patent data available for this compound.