CID 64686804

6,8-difluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C10H11F2N
SMILES
CC1C2=C(CCN1)C=C(C=C2F)F
InChI
InChI=1S/C10H11F2N/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12/h4-6,13H,2-3H2,1H3
InChIKey
NHIPEBANBCDIDE-UHFFFAOYSA-N
Compound name
6,8-difluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09323 139.2
[M+Na]+ 206.07517 151.1
[M+NH4]+ 201.11977 147.4
[M+K]+ 222.04911 144.0
[M-H]- 182.07867 138.9
[M+Na-2H]- 204.06062 143.9
[M]+ 183.08540 140.7
[M]- 183.08650 140.7
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

No patent data available for this compound.