CID 18613754

2551115-35-4

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

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

InChI

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

InChIKey

IZFOXXDHUSYAHZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	166.10266	133.2
[M+Na]+	188.08460	141.2
[M-H]-	164.08810	133.6
[M+NH4]+	183.12920	153.2
[M+K]+	204.05854	137.2
[M+H-H2O]+	148.09264	126.3
[M+HCOO]-	210.09358	150.7
[M+CH3COO]-	224.10923	145.6
[M+Na-2H]-	186.07005	139.7
[M]+	165.09483	127.7
[M]-	165.09593	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe