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

23
Patents

161.06407 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07135 130.9
[M+Na]+ 184.05329 146.2
[M+NH4]+ 179.09789 140.7
[M+K]+ 200.02723 138.0
[M-H]- 160.05679 133.2
[M+Na-2H]- 182.03874 139.4
[M]+ 161.06352 133.9
[M]- 161.06462 133.9
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