CID 3025607

104628-16-2

Structural Information

Molecular Formula

C₁₃H₁₃FN₂O

SMILES

C1CC(C2=C(C3=C(C=C(C=C3)F)N=C2C1)N)O

InChI

InChI=1S/C13H13FN2O/c14-7-4-5-8-10(6-7)16-9-2-1-3-11(17)12(9)13(8)15/h4-6,11,17H,1-3H2,(H2,15,16)

InChIKey

GHPCZOLZFWUXCH-UHFFFAOYSA-N

Compound name

9-amino-6-fluoro-1,2,3,4-tetrahydroacridin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 232.1012 Da
Monoisotopic Mass: 1.5
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]+	233.10848	149.2
[M+Na]+	255.09042	158.2
[M-H]-	231.09392	150.3
[M+NH4]+	250.13502	167.1
[M+K]+	271.06436	152.8
[M+H-H2O]+	215.09846	141.3
[M+HCOO]-	277.09940	165.9
[M+CH3COO]-	291.11505	160.6
[M+Na-2H]-	253.07587	155.2
[M]+	232.10065	144.1
[M]-	232.10175	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe