CID 639441

2-fluoro-4-methylquinoline

Structural Information

Molecular Formula
C10H8FN
SMILES
CC1=CC(=NC2=CC=CC=C12)F
InChI
InChI=1S/C10H8FN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
IFRMRTJBELSCHL-UHFFFAOYSA-N
Compound name
2-fluoro-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

161.06407 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.071346 129.1
[M+Na]+ 184.053288 139.7
[M-H]- 160.056794 131.7
[M+NH4]+ 179.097893 150.2
[M+K]+ 200.027228 136.1
[M+H-H2O]+ 144.061330 121.9
[M+HCOO]- 206.062271 151.0
[M+CH3COO]- 220.077921 143.4
[M+Na-2H]- 182.038736 138.3
[M]+ 161.06352142 128.4
[M]- 161.06461858 128.4
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