CID 72213615

1260666-73-6

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1CNC(=O)C2=CN=CC(=C21)Br
InChI
InChI=1S/C8H7BrN2O/c9-7-4-10-3-6-5(7)1-2-11-8(6)12/h3-4H,1-2H2,(H,11,12)
InChIKey
KFLWJWILEDINQR-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-2H-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 138.1
[M+Na]+ 248.96340 150.0
[M-H]- 224.96690 141.4
[M+NH4]+ 244.00800 157.9
[M+K]+ 264.93734 138.2
[M+H-H2O]+ 208.97144 137.9
[M+HCOO]- 270.97238 154.3
[M+CH3COO]- 284.98803 152.3
[M+Na-2H]- 246.94885 147.2
[M]+ 225.97363 153.3
[M]- 225.97473 153.3
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

No patent data available for this compound.