CID 136727898

8-iodoquinolin-5-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9494 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.