CID 614067

3-bromoquinolin-4-ol

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)Br
InChI
InChI=1S/C9H6BrNO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-5H,(H,11,12)
InChIKey
NOJARSKUXYDSJA-UHFFFAOYSA-N
Compound name
3-bromo-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

222.96329 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 135.7
[M+Na]+ 245.95251 141.2
[M+NH4]+ 240.99711 141.3
[M+K]+ 261.92645 140.3
[M-H]- 221.95601 136.6
[M+Na-2H]- 243.93796 140.4
[M]+ 222.96274 135.6
[M]- 222.96384 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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