CID 329075

5,7-diiodo-2-methylquinolin-8-ol

Structural Information

Molecular Formula
C10H7I2NO
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)I)I
InChI
InChI=1S/C10H7I2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
InChIKey
MLLYGURMTANGMK-UHFFFAOYSA-N
Compound name
5,7-diiodo-2-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

410.86172 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.86900 153.0
[M+Na]+ 433.85094 151.3
[M+NH4]+ 428.89554 152.7
[M+K]+ 449.82488 152.2
[M-H]- 409.85444 143.5
[M+Na-2H]- 431.83639 138.4
[M]+ 410.86117 148.2
[M]- 410.86227 148.2
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

patents stripe