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]+ 180.118296 137.8
[M+Na]+ 202.100238 146.3
[M-H]- 178.103744 138.4
[M+NH4]+ 197.144843 157.6
[M+K]+ 218.074178 142.1
[M+H-H2O]+ 162.108280 130.9
[M+HCOO]- 224.109221 154.9
[M+CH3COO]- 238.124871 181.6
[M+Na-2H]- 200.085686 143.1
[M]+ 179.11047142 133.0
[M]- 179.11156858 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.