CID 71668438

7-hydroxy-6-iodo-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C9H8INO2
SMILES
C1CC(=O)NC2=CC(=C(C=C21)I)O
InChI
InChI=1S/C9H8INO2/c10-6-3-5-1-2-9(13)11-7(5)4-8(6)12/h3-4,12H,1-2H2,(H,11,13)
InChIKey
STMRQRQRIDHQOK-UHFFFAOYSA-N
Compound name
7-hydroxy-6-iodo-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.96 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.96728 141.2
[M+Na]+ 311.94922 142.7
[M-H]- 287.95272 134.9
[M+NH4]+ 306.99382 154.9
[M+K]+ 327.92316 144.7
[M+H-H2O]+ 271.95726 131.8
[M+HCOO]- 333.95820 154.0
[M+CH3COO]- 347.97385 185.3
[M+Na-2H]- 309.93467 135.5
[M]+ 288.95945 134.9
[M]- 288.96055 134.9
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.