CID 64689205

6-fluoro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C11H14FN
SMILES
CC1CC2=C(C=CC(=C2)F)C(N1)C
InChI
InChI=1S/C11H14FN/c1-7-5-9-6-10(12)3-4-11(9)8(2)13-7/h3-4,6-8,13H,5H2,1-2H3
InChIKey
RFUYINIEGOHIAM-UHFFFAOYSA-N
Compound name
6-fluoro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11830 137.8
[M+Na]+ 202.10024 146.3
[M-H]- 178.10374 138.4
[M+NH4]+ 197.14484 157.6
[M+K]+ 218.07418 142.1
[M+H-H2O]+ 162.10828 130.9
[M+HCOO]- 224.10922 154.9
[M+CH3COO]- 238.12487 181.6
[M+Na-2H]- 200.08569 143.1
[M]+ 179.11047 133.0
[M]- 179.11157 133.0
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.