CID 16792731

8-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H12FN
SMILES
CC1=CC2=C(C(=C1)F)NCCC2
InChI
InChI=1S/C10H12FN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h5-6,12H,2-4H2,1H3
InChIKey
YALAGFGALCWJBV-UHFFFAOYSA-N
Compound name
8-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

165.09538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.102656 133.2
[M+Na]+ 188.084598 141.2
[M-H]- 164.088104 133.6
[M+NH4]+ 183.129203 153.2
[M+K]+ 204.058538 137.2
[M+H-H2O]+ 148.092640 126.3
[M+HCOO]- 210.093581 150.7
[M+CH3COO]- 224.109231 145.6
[M+Na-2H]- 186.070046 139.7
[M]+ 165.09483142 127.7
[M]- 165.09592858 127.7
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