CID 12991370

7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

CC1C2=C(CCN1)C=CC(=C2)F

InChI

InChI=1S/C10H12FN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3

InChIKey

BVLWMCKKBJGKBK-UHFFFAOYSA-N

Compound name

7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 165.09538 Da
Monoisotopic Mass: 1.8
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]+	166.102656	133.2
[M+Na]+	188.084598	141.2
[M-H]-	164.088104	133.6
[M+NH4]+	183.129203	153.2
[M+K]+	204.058538	137.2
[M+H-H2O]+	148.092640	126.3
[M+HCOO]-	210.093581	150.7
[M+CH3COO]-	224.109231	145.6
[M+Na-2H]-	186.070046	139.7
[M]+	165.09483142	127.7
[M]-	165.09592858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe