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]+ 272.95195 134.4
[M+Na]+ 294.93389 137.7
[M-H]- 270.93739 128.4
[M+NH4]+ 289.97849 148.1
[M+K]+ 310.90783 140.1
[M+H-H2O]+ 254.94193 124.0
[M+HCOO]- 316.94287 150.1
[M+CH3COO]- 330.95852 143.6
[M+Na-2H]- 292.91934 132.5
[M]+ 271.94412 131.6
[M]- 271.94522 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.