CID 146048557

2-chloro-3-(fluoromethyl)-7-methoxyquinoline

Structural Information

Molecular Formula
C11H9ClFNO
SMILES
COC1=CC2=NC(=C(C=C2C=C1)CF)Cl
InChI
InChI=1S/C11H9ClFNO/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,6H2,1H3
InChIKey
VWWQLEWIFCUSOD-UHFFFAOYSA-N
Compound name
2-chloro-3-(fluoromethyl)-7-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03568 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.042956 142.9
[M+Na]+ 248.024898 154.5
[M-H]- 224.028404 145.2
[M+NH4]+ 243.069503 162.4
[M+K]+ 263.998838 149.5
[M+H-H2O]+ 208.032940 136.0
[M+HCOO]- 270.033881 159.9
[M+CH3COO]- 284.049531 189.3
[M+Na-2H]- 246.010346 150.2
[M]+ 225.03513142 146.4
[M]- 225.03622858 146.4
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

No patent data available for this compound.