CID 62319376

4-chloro-6-fluoro-2-(methoxymethyl)quinoline

Structural Information

Molecular Formula
C11H9ClFNO
SMILES
COCC1=CC(=C2C=C(C=CC2=N1)F)Cl
InChI
InChI=1S/C11H9ClFNO/c1-15-6-8-5-10(12)9-4-7(13)2-3-11(9)14-8/h2-5H,6H2,1H3
InChIKey
MEKNGYCGVALDQB-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-(methoxymethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03568 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04296 142.9
[M+Na]+ 248.02490 154.5
[M-H]- 224.02840 145.2
[M+NH4]+ 243.06950 162.4
[M+K]+ 263.99884 149.5
[M+H-H2O]+ 208.03294 136.0
[M+HCOO]- 270.03388 159.9
[M+CH3COO]- 284.04953 189.3
[M+Na-2H]- 246.01035 150.2
[M]+ 225.03513 146.4
[M]- 225.03623 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.