CID 146081945

6,6-difluoro-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CC(CC2=C1N=CC=C2)(F)F
InChI
InChI=1S/C9H9F2N/c10-9(11)4-3-8-7(6-9)2-1-5-12-8/h1-2,5H,3-4,6H2
InChIKey
QYPFNVVVDNTKJP-UHFFFAOYSA-N
Compound name
6,6-difluoro-7,8-dihydro-5H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07031 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 131.5
[M+Na]+ 192.059528 140.4
[M-H]- 168.063034 132.1
[M+NH4]+ 187.104133 153.7
[M+K]+ 208.033468 137.3
[M+H-H2O]+ 152.067570 123.5
[M+HCOO]- 214.068511 149.7
[M+CH3COO]- 228.084161 144.4
[M+Na-2H]- 190.044976 140.0
[M]+ 169.06976142 126.2
[M]- 169.07085858 126.2
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

No patent data available for this compound.