CID 13564478

Crl 41092

Structural Information

Molecular Formula

C₁₃H₁₆F₃NO₂

SMILES

CCN1CCOC(C1)(C2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C13H16F3NO2/c1-2-17-6-7-19-12(18,9-17)10-4-3-5-11(8-10)13(14,15)16/h3-5,8,18H,2,6-7,9H2,1H3

InChIKey

FAOKFSYZIRBGSS-UHFFFAOYSA-N

Compound name

4-ethyl-2-[3-(trifluoromethyl)phenyl]morpholin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 275.1133 Da
Monoisotopic Mass: 1.9
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]+	276.120576	160.5
[M+Na]+	298.102518	167.6
[M-H]-	274.106024	160.9
[M+NH4]+	293.147123	175.2
[M+K]+	314.076458	165.1
[M+H-H2O]+	258.110560	151.0
[M+HCOO]-	320.111501	172.8
[M+CH3COO]-	334.127151	193.9
[M+Na-2H]-	296.087966	165.1
[M]+	275.11275142	154.2
[M]-	275.11384858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe