CID 2774227

4,4-difluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1C2=CC=CC=C2C(CN1)(F)F
InChI
InChI=1S/C9H9F2N/c10-9(11)6-12-5-7-3-1-2-4-8(7)9/h1-4,12H,5-6H2
InChIKey
COWKAQOYHYDALU-UHFFFAOYSA-N
Compound name
4,4-difluoro-2,3-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 134.6
[M+Na]+ 192.05953 146.2
[M+NH4]+ 187.10413 144.3
[M+K]+ 208.03347 137.3
[M-H]- 168.06303 134.3
[M+Na-2H]- 190.04498 141.5
[M]+ 169.06976 136.1
[M]- 169.07086 136.1
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