CID 131846238

1260663-94-2

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CNC(=O)C2=CN=CC(=C21)Br
InChI
InChI=1S/C8H5BrN2O/c9-7-4-10-3-6-5(7)1-2-11-8(6)12/h1-4H,(H,11,12)
InChIKey
NABGQOLVZFQDJS-UHFFFAOYSA-N
Compound name
5-bromo-2H-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.95853 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 134.5
[M+Na]+ 246.94775 148.3
[M-H]- 222.95125 138.5
[M+NH4]+ 241.99235 154.5
[M+K]+ 262.92169 136.2
[M+H-H2O]+ 206.95579 134.4
[M+HCOO]- 268.95673 153.4
[M+CH3COO]- 282.97238 149.8
[M+Na-2H]- 244.93320 145.6
[M]+ 223.95798 152.4
[M]- 223.95908 152.4
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