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]+ 170.07759 131.5
[M+Na]+ 192.05953 140.4
[M-H]- 168.06303 132.1
[M+NH4]+ 187.10413 153.7
[M+K]+ 208.03347 137.3
[M+H-H2O]+ 152.06757 123.5
[M+HCOO]- 214.06851 149.7
[M+CH3COO]- 228.08416 144.4
[M+Na-2H]- 190.04498 140.0
[M]+ 169.06976 126.2
[M]- 169.07086 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.