CID 329075

5,7-diiodo-8-hydroxy-2-methylquinoline

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 146.6
[M+Na]+ 433.85094 142.3
[M-H]- 409.85444 137.2
[M+NH4]+ 428.89554 154.9
[M+K]+ 449.82488 150.7
[M+H-H2O]+ 393.85898 134.7
[M+HCOO]- 455.85992 156.4
[M+CH3COO]- 469.87557 206.3
[M+Na-2H]- 431.83639 136.0
[M]+ 410.86117 142.4
[M]- 410.86227 142.4
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