CID 12182076

5-fluoro-8-methylquinoline

Structural Information

Molecular Formula
C10H8FN
SMILES
CC1=C2C(=C(C=C1)F)C=CC=N2
InChI
InChI=1S/C10H8FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey
XEJHEHMTWJYXGE-UHFFFAOYSA-N
Compound name
5-fluoro-8-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

161.06407 Da
Monoisotopic Mass

2.7
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