CID 607503

2,4-dichloroquinoline

Structural Information

Molecular Formula
C9H5Cl2N
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H5Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKey
QNBJYUUUYZVIJP-UHFFFAOYSA-N
Compound name
2,4-dichloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

720
Patents

196.9799 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.98718 134.4
[M+Na]+ 219.96912 152.3
[M+NH4]+ 215.01372 145.5
[M+K]+ 235.94306 142.7
[M-H]- 195.97262 138.2
[M+Na-2H]- 217.95457 144.0
[M]+ 196.97935 138.9
[M]- 196.98045 138.9
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