CID 136624

784-57-6

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O

SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2

InChIKey

CNVOJNRNRNAOOP-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-5-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 202
Patents: 246.09799 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]+	247.10527	153.0
[M+Na]+	269.08721	159.7
[M-H]-	245.09071	154.2
[M+NH4]+	264.13181	167.0
[M+K]+	285.06115	157.0
[M+H-H2O]+	229.09525	142.7
[M+HCOO]-	291.09619	167.6
[M+CH3COO]-	305.11184	193.1
[M+Na-2H]-	267.07266	157.2
[M]+	246.09744	144.3
[M]-	246.09854	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe