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]+ 271.956676 135.6
[M+Na]+ 293.938618 138.4
[M-H]- 269.942124 130.9
[M+NH4]+ 288.983223 150.7
[M+K]+ 309.912558 140.9
[M+H-H2O]+ 253.946660 125.9
[M+HCOO]- 315.947601 152.3
[M+CH3COO]- 329.963251 145.1
[M+Na-2H]- 291.924066 133.0
[M]+ 270.94885142 132.6
[M]- 270.94994858 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.