CID 5250493

6-iodoquinolin-4-ol

Structural Information

Molecular Formula
C9H6INO
SMILES
C1=CC2=C(C=C1I)C(=O)C=CN2
InChI
InChI=1S/C9H6INO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey
ZAZOVHUNVUSQMU-UHFFFAOYSA-N
Compound name
6-iodo-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

270.9494 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95668 134.3
[M+Na]+ 293.93862 137.4
[M-H]- 269.94212 129.7
[M+NH4]+ 288.98322 149.4
[M+K]+ 309.91256 139.3
[M+H-H2O]+ 253.94666 124.7
[M+HCOO]- 315.94760 151.2
[M+CH3COO]- 329.96325 143.9
[M+Na-2H]- 291.92407 131.8
[M]+ 270.94885 130.7
[M]- 270.94995 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe