CID 86693066

1451085-14-5

Structural Information

Molecular Formula
C11H10BrNO
SMILES
C1C2CC1NC(=O)C3=C2C=CC(=C3)Br
InChI
InChI=1S/C11H10BrNO/c12-7-1-2-9-6-3-8(4-6)13-11(14)10(9)5-7/h1-2,5-6,8H,3-4H2,(H,13,14)
InChIKey
YDQAWSYIQGVXML-UHFFFAOYSA-N
Compound name
5-bromo-9-azatricyclo[8.1.1.02,7]dodeca-2(7),3,5-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

250.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 136.7
[M+Na]+ 273.98380 134.9
[M+NH4]+ 269.02840 138.7
[M+K]+ 289.95774 137.9
[M-H]- 249.98730 133.4
[M+Na-2H]- 271.96925 135.0
[M]+ 250.99403 134.0
[M]- 250.99513 134.0
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