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

21
Patents

230.94504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95232 141.0
[M+Na]+ 253.93426 155.3
[M-H]- 229.93776 147.1
[M+NH4]+ 248.97886 165.4
[M+K]+ 269.90820 142.7
[M+H-H2O]+ 213.94230 142.1
[M+HCOO]- 275.94324 157.1
[M+CH3COO]- 289.95889 156.9
[M+Na-2H]- 251.91971 148.3
[M]+ 230.94449 160.3
[M]- 230.94559 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