CID 64554370

2-methoxy-5-methyl-n-(3,3,3-trifluoropropyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₄F₃NO

SMILES

CC1=CC(=C(C=C1)OC)NCCC(F)(F)F

InChI

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

InChIKey

YCDNQBSAYYXSLR-UHFFFAOYSA-N

Compound name

2-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.10275 Da
Monoisotopic Mass: 3.7
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	148.5
[M+Na]+	256.091968	156.7
[M-H]-	232.095474	148.5
[M+NH4]+	251.136573	166.7
[M+K]+	272.065908	153.9
[M+H-H2O]+	216.100010	140.1
[M+HCOO]-	278.100951	168.9
[M+CH3COO]-	292.116601	194.5
[M+Na-2H]-	254.077416	153.4
[M]+	233.10220142	146.5
[M]-	233.10329858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe