CID 130001183

2243503-43-5

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

C1C(NCC2=C1C(=CC=C2)F)C(=O)O

InChI

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

InChIKey

ZRKIONVKOBMQQO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.06955 Da
Monoisotopic Mass: -1.2
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]+	196.076826	139.1
[M+Na]+	218.058768	146.5
[M-H]-	194.062274	138.0
[M+NH4]+	213.103373	156.8
[M+K]+	234.032708	142.5
[M+H-H2O]+	178.066810	132.2
[M+HCOO]-	240.067751	154.5
[M+CH3COO]-	254.083401	179.0
[M+Na-2H]-	216.044216	143.9
[M]+	195.06900142	133.3
[M]-	195.07009858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.