CID 4738501

4-amino-6-fluoro-2-methylquinoline

Structural Information

Molecular Formula
C10H9FN2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)F)N
InChI
InChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
InChIKey
PTJKTKQKAHCGDF-UHFFFAOYSA-N
Compound name
6-fluoro-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

176.07498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 134.2
[M+Na]+ 199.06420 144.8
[M-H]- 175.06770 136.5
[M+NH4]+ 194.10880 154.3
[M+K]+ 215.03814 140.8
[M+H-H2O]+ 159.07224 126.9
[M+HCOO]- 221.07318 156.4
[M+CH3COO]- 235.08883 147.9
[M+Na-2H]- 197.04965 141.8
[M]+ 176.07443 132.2
[M]- 176.07553 132.2
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