CID 2736587

4-chloro-8-fluoroquinoline

Structural Information

Molecular Formula
C9H5ClFN
SMILES
C1=CC2=C(C=CN=C2C(=C1)F)Cl
InChI
InChI=1S/C9H5ClFN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H
InChIKey
NUIMKHDPMIPYFI-UHFFFAOYSA-N
Compound name
4-chloro-8-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

181.00946 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01674 130.6
[M+Na]+ 203.99868 146.9
[M+NH4]+ 199.04328 140.8
[M+K]+ 219.97262 138.2
[M-H]- 180.00218 133.0
[M+Na-2H]- 201.98413 139.5
[M]+ 181.00891 134.0
[M]- 181.01001 134.0
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

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