CID 68549725

6-fluoroisoquinoline-3-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₆FNO₂

SMILES

C1=CC2=CN=C(C=C2C=C1F)C(=O)O

InChI

InChI=1S/C10H6FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)

InChIKey

LOTSIKAINFRFHY-UHFFFAOYSA-N

Compound name

6-fluoroisoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 191.03825 Da
Monoisotopic Mass: 2.1
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]+	192.04553	137.2
[M+Na]+	214.02747	150.7
[M+NH4]+	209.07207	145.1
[M+K]+	230.00141	144.6
[M-H]-	190.03097	137.5
[M+Na-2H]-	212.01292	143.6
[M]+	191.03770	139.1
[M]-	191.03880	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe