CID 18796691

2,4,6-trichloroquinoline

Structural Information

Molecular Formula
C9H4Cl3N
SMILES
C1=CC2=C(C=C1Cl)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H4Cl3N/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4H
InChIKey
ALESUIVUHLTNLB-UHFFFAOYSA-N
Compound name
2,4,6-trichloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

230.94093 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.948206 140.0
[M+Na]+ 253.930148 152.5
[M-H]- 229.933654 141.7
[M+NH4]+ 248.974753 159.4
[M+K]+ 269.904088 146.0
[M+H-H2O]+ 213.938190 135.6
[M+HCOO]- 275.939131 147.7
[M+CH3COO]- 289.954781 152.9
[M+Na-2H]- 251.915596 146.8
[M]+ 230.94038142 143.4
[M]- 230.94147858 143.4
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