CID 101804854

3-iodo-1-methylquinolin-4(1h)-one

Structural Information

Molecular Formula
C10H8INO
SMILES
CN1C=C(C(=O)C2=CC=CC=C21)I
InChI
InChI=1S/C10H8INO/c1-12-6-8(11)10(13)7-4-2-3-5-9(7)12/h2-6H,1H3
InChIKey
VEUDHWIQUCKVSM-UHFFFAOYSA-N
Compound name
3-iodo-1-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96506 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97234 142.5
[M+Na]+ 307.95428 150.5
[M+NH4]+ 302.99888 147.5
[M+K]+ 323.92822 146.3
[M-H]- 283.95778 139.2
[M+Na-2H]- 305.93973 137.8
[M]+ 284.96451 141.8
[M]- 284.96561 141.8
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.