CID 591684

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

Structural Information

Molecular Formula
C10H12FN
SMILES
CC1CCC2=C(N1)C=CC(=C2)F
InChI
InChI=1S/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3
InChIKey
BDCCXYVTXRUGAN-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

564
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

literature stripe

Patent stripe

patents stripe