CID 84660329

5-chloro-8-fluoro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H9ClFN
SMILES
C1CNCC2=C(C=CC(=C21)Cl)F
InChI
InChI=1S/C9H9ClFN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5H2
InChIKey
ZDMJVIJICXAAKT-UHFFFAOYSA-N
Compound name
5-chloro-8-fluoro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04076 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.048036 134.3
[M+Na]+ 208.029978 143.4
[M-H]- 184.033484 134.5
[M+NH4]+ 203.074583 154.3
[M+K]+ 224.003918 137.8
[M+H-H2O]+ 168.038020 128.1
[M+HCOO]- 230.038961 147.4
[M+CH3COO]- 244.054611 146.7
[M+Na-2H]- 206.015426 140.9
[M]+ 185.04021142 130.4
[M]- 185.04130858 130.4
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.