CID 97036704

8-fluoro-7-methylquinoline

Structural Information

Molecular Formula
C10H8FN
SMILES
CC1=C(C2=C(C=CC=N2)C=C1)F
InChI
InChI=1S/C10H8FN/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,1H3
InChIKey
HVEWBBAQMKACPR-UHFFFAOYSA-N
Compound name
8-fluoro-7-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

No literature data available for this compound.

Patent stripe

patents stripe