CID 43138664

[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula

C₁₁H₁₄F₃NO

SMILES

CC(C)OC1=CC(=C(C=C1)CN)C(F)(F)F

InChI

InChI=1S/C11H14F3NO/c1-7(2)16-9-4-3-8(6-15)10(5-9)11(12,13)14/h3-5,7H,6,15H2,1-2H3

InChIKey

VCQQCFNUCGTGIP-UHFFFAOYSA-N

Compound name

[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.10275 Da
Monoisotopic Mass: 2.4
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]+	234.110026	149.1
[M+Na]+	256.091968	157.1
[M-H]-	232.095474	148.6
[M+NH4]+	251.136573	166.9
[M+K]+	272.065908	154.4
[M+H-H2O]+	216.100010	140.8
[M+HCOO]-	278.100951	167.8
[M+CH3COO]-	292.116601	194.7
[M+Na-2H]-	254.077416	151.6
[M]+	233.10220142	145.4
[M]-	233.10329858	145.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.