CID 22125194

2-chloro-8-fluoroquinoline

Structural Information

Molecular Formula
C9H5ClFN
SMILES
C1=CC2=C(C(=C1)F)N=C(C=C2)Cl
InChI
InChI=1S/C9H5ClFN/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h1-5H
InChIKey
CSPMWYOOKWBXRI-UHFFFAOYSA-N
Compound name
2-chloro-8-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

181.00946 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01674 130.2
[M+Na]+ 203.99868 141.9
[M-H]- 180.00218 132.5
[M+NH4]+ 199.04328 151.2
[M+K]+ 219.97262 136.7
[M+H-H2O]+ 164.00672 123.7
[M+HCOO]- 226.00766 147.7
[M+CH3COO]- 240.02331 144.4
[M+Na-2H]- 201.98413 139.4
[M]+ 181.00891 131.1
[M]- 181.01001 131.1
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