CID 490057

4-hydroxy-6-iodo-2-methyl-quinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7IN2O
SMILES
CC1=C(C(=O)C2=C(N1)C=CC(=C2)I)C#N
InChI
InChI=1S/C11H7IN2O/c1-6-9(5-13)11(15)8-4-7(12)2-3-10(8)14-6/h2-4H,1H3,(H,14,15)
InChIKey
RJADMFTTXNAKLA-UHFFFAOYSA-N
Compound name
6-iodo-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.9603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.96758 149.3
[M+Na]+ 332.94952 155.6
[M-H]- 308.95302 145.0
[M+NH4]+ 327.99412 161.7
[M+K]+ 348.92346 154.9
[M+H-H2O]+ 292.95756 133.9
[M+HCOO]- 354.95850 162.4
[M+CH3COO]- 368.97415 203.8
[M+Na-2H]- 330.93497 144.5
[M]+ 309.95975 142.3
[M]- 309.96085 142.3
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

No patent data available for this compound.