CID 96111

13207-63-1

Structural Information

Molecular Formula
C9H6INO
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)I
InChI
InChI=1S/C9H6INO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKey
SUQZNPQQZDQDPJ-UHFFFAOYSA-N
Compound name
5-iodoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

263
Patents

270.9494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95668 135.6
[M+Na]+ 293.93862 138.4
[M-H]- 269.94212 130.9
[M+NH4]+ 288.98322 150.7
[M+K]+ 309.91256 140.9
[M+H-H2O]+ 253.94666 125.9
[M+HCOO]- 315.94760 152.3
[M+CH3COO]- 329.96325 145.1
[M+Na-2H]- 291.92407 133.0
[M]+ 270.94885 132.6
[M]- 270.94995 132.6
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

patents stripe