CID 21393880

7,8-difluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CNCC2=C1C=CC(=C2F)F
InChI
InChI=1S/C9H9F2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
InChIKey
QSYDIASDHZASJN-UHFFFAOYSA-N
Compound name
7,8-difluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 134.4
[M+Na]+ 192.05953 146.2
[M+NH4]+ 187.10413 142.8
[M+K]+ 208.03347 139.1
[M-H]- 168.06303 134.2
[M+Na-2H]- 190.04498 139.7
[M]+ 169.06976 135.8
[M]- 169.07086 135.8
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