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

literature stripe

Patent stripe

patents stripe