CID 53408412

1260637-74-8

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

C1CNC(C2=C1C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C10H10FNO2/c11-7-1-2-8-6(5-7)3-4-12-9(8)10(13)14/h1-2,5,9,12H,3-4H2,(H,13,14)

InChIKey

OXOUVNLVPPEGSB-UHFFFAOYSA-N

Compound name

6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 195.06955 Da
Monoisotopic Mass: -1.1
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]+	196.07683	139.1
[M+Na]+	218.05877	146.5
[M-H]-	194.06227	138.0
[M+NH4]+	213.10337	156.8
[M+K]+	234.03271	142.5
[M+H-H2O]+	178.06681	132.2
[M+HCOO]-	240.06775	154.5
[M+CH3COO]-	254.08340	179.0
[M+Na-2H]-	216.04422	143.9
[M]+	195.06900	133.3
[M]-	195.07010	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe