CID 135742418

4-iodo-1,5-naphthyridin-3-ol

Structural Information

Molecular Formula
C8H5IN2O
SMILES
C1=CC2=NC=C(C(=C2N=C1)I)O
InChI
InChI=1S/C8H5IN2O/c9-7-6(12)4-11-5-2-1-3-10-8(5)7/h1-4,12H
InChIKey
IIIXVGZRTWCKQJ-UHFFFAOYSA-N
Compound name
4-iodo-1,5-naphthyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.94467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.951946 134.4
[M+Na]+ 294.933888 137.7
[M-H]- 270.937394 128.4
[M+NH4]+ 289.978493 148.1
[M+K]+ 310.907828 140.1
[M+H-H2O]+ 254.941930 124.0
[M+HCOO]- 316.942871 150.1
[M+CH3COO]- 330.958521 143.6
[M+Na-2H]- 292.919336 132.5
[M]+ 271.94412142 131.6
[M]- 271.94521858 131.6
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.