CID 101804854

52166-26-4

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 136.7
[M+Na]+ 307.95428 140.7
[M-H]- 283.95778 133.6
[M+NH4]+ 302.99888 152.2
[M+K]+ 323.92822 143.3
[M+H-H2O]+ 267.96232 126.8
[M+HCOO]- 329.96326 154.7
[M+CH3COO]- 343.97891 190.4
[M+Na-2H]- 305.93973 133.6
[M]+ 284.96451 135.6
[M]- 284.96561 135.6
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.