CID 3025608

104628-17-3

Structural Information

Molecular Formula

C₁₄H₁₃F₃N₂O

SMILES

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

InChI

InChI=1S/C14H13F3N2O/c15-14(16,17)7-4-5-8-10(6-7)19-9-2-1-3-11(20)12(9)13(8)18/h4-6,11,20H,1-3H2,(H2,18,19)

InChIKey

ZHFXMERFRYSFFB-UHFFFAOYSA-N

Compound name

9-amino-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 282.098 Da
Monoisotopic Mass: 2.3
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]+	283.10528	161.7
[M+Na]+	305.08722	170.9
[M-H]-	281.09072	160.2
[M+NH4]+	300.13182	177.6
[M+K]+	321.06116	164.8
[M+H-H2O]+	265.09526	152.3
[M+HCOO]-	327.09620	174.2
[M+CH3COO]-	341.11185	201.3
[M+Na-2H]-	303.07267	166.6
[M]+	282.09745	154.2
[M]-	282.09855	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe