CID 12376845

64965-49-7

Structural Information

Molecular Formula
C10H8INO
SMILES
CC1=C(C(=O)C2=CC=CC=C2N1)I
InChI
InChI=1S/C10H8INO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H,1H3,(H,12,13)
InChIKey
OTKAQDFXVUQKQD-UHFFFAOYSA-N
Compound name
3-iodo-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

284.96506 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97234 138.4
[M+Na]+ 307.95428 142.0
[M-H]- 283.95778 134.0
[M+NH4]+ 302.99888 153.3
[M+K]+ 323.92822 143.7
[M+H-H2O]+ 267.96232 128.8
[M+HCOO]- 329.96326 154.9
[M+CH3COO]- 343.97891 187.9
[M+Na-2H]- 305.93973 134.7
[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

No literature data available for this compound.

Patent stripe

patents stripe