CID 82619820

1508793-36-9

Structural Information

Molecular Formula
C8H7BrClN
SMILES
C1CC2=CC(=C(N=C2C1)Cl)Br
InChI
InChI=1S/C8H7BrClN/c9-6-4-5-2-1-3-7(5)11-8(6)10/h4H,1-3H2
InChIKey
AYPSTXNKSOMZRS-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

230.94504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.952316 141.0
[M+Na]+ 253.934258 155.3
[M-H]- 229.937764 147.1
[M+NH4]+ 248.978863 165.4
[M+K]+ 269.908198 142.7
[M+H-H2O]+ 213.942300 142.1
[M+HCOO]- 275.943241 157.1
[M+CH3COO]- 289.958891 156.9
[M+Na-2H]- 251.919706 148.3
[M]+ 230.94449142 160.3
[M]- 230.94558858 160.3
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