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

9
Patents

165.09538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 133.2
[M+Na]+ 188.08460 141.2
[M-H]- 164.08810 133.6
[M+NH4]+ 183.12920 153.2
[M+K]+ 204.05854 137.2
[M+H-H2O]+ 148.09264 126.3
[M+HCOO]- 210.09358 150.7
[M+CH3COO]- 224.10923 145.6
[M+Na-2H]- 186.07005 139.7
[M]+ 165.09483 127.7
[M]- 165.09593 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