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

103
Patents

210.96329 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.970566 136.2
[M+Na]+ 233.952508 149.7
[M-H]- 209.956014 142.7
[M+NH4]+ 228.997113 160.4
[M+K]+ 249.926448 139.1
[M+H-H2O]+ 193.960550 136.9
[M+HCOO]- 255.961491 157.2
[M+CH3COO]- 269.977141 182.6
[M+Na-2H]- 231.937956 144.1
[M]+ 210.96274142 154.6
[M]- 210.96383858 154.6
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