CID 3015901

5-bromo-7-iodoquinolin-8-ol

Structural Information

Molecular Formula
C9H5BrINO
SMILES
C1=CC2=C(C(=C(C=C2Br)I)O)N=C1
InChI
InChI=1S/C9H5BrINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey
IMYWOQVNTHOMNH-UHFFFAOYSA-N
Compound name
5-bromo-7-iodoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

159
Patents

348.85992 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.867196 146.2
[M+Na]+ 371.849138 152.7
[M-H]- 347.852644 144.6
[M+NH4]+ 366.893743 162.2
[M+K]+ 387.823078 146.9
[M+H-H2O]+ 331.857180 142.7
[M+HCOO]- 393.858121 160.7
[M+CH3COO]- 407.873771 157.1
[M+Na-2H]- 369.834586 144.3
[M]+ 348.85937142 161.3
[M]- 348.86046858 161.3
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

patents stripe