CID 71743892

1428651-90-4

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1CC(=O)C2=CN=CC(=C21)Br
InChI
InChI=1S/C8H6BrNO/c9-7-4-10-3-6-5(7)1-2-8(6)11/h3-4H,1-2H2
InChIKey
NJWBNFSXZZLYMG-UHFFFAOYSA-N
Compound name
4-bromo-5,6-dihydrocyclopenta[c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

210.96329 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 138.7
[M+Na]+ 233.95251 142.2
[M+NH4]+ 228.99711 144.3
[M+K]+ 249.92645 143.2
[M-H]- 209.95601 139.0
[M+Na-2H]- 231.93796 141.3
[M]+ 210.96274 138.0
[M]- 210.96384 138.0
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