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

199
Patents

181.00946 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.016736 130.2
[M+Na]+ 203.998678 141.9
[M-H]- 180.002184 132.5
[M+NH4]+ 199.043283 151.2
[M+K]+ 219.972618 136.7
[M+H-H2O]+ 164.006720 123.7
[M+HCOO]- 226.007661 147.7
[M+CH3COO]- 240.023311 144.4
[M+Na-2H]- 201.984126 139.4
[M]+ 181.00891142 131.1
[M]- 181.01000858 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

literature stripe

Patent stripe

patents stripe