CID 53833921

6-fluoro-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

CN1CCC2=CC(=C(C=C2C1)O)F

InChI

InChI=1S/C10H12FNO/c1-12-3-2-7-4-9(11)10(13)5-8(7)6-12/h4-5,13H,2-3,6H2,1H3

InChIKey

GEIZLPLJMNROAM-UHFFFAOYSA-N

Compound name

6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 181.09029 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.097566	136.5
[M+Na]+	204.079508	145.4
[M-H]-	180.083014	137.3
[M+NH4]+	199.124113	156.1
[M+K]+	220.053448	141.9
[M+H-H2O]+	164.087550	129.6
[M+HCOO]-	226.088491	154.1
[M+CH3COO]-	240.104141	180.6
[M+Na-2H]-	202.064956	142.3
[M]+	181.08974142	132.9
[M]-	181.09083858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe