CID 2760750

41605-31-6

Structural Information

Molecular Formula

C₁₃H₁₀F₃NO

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)C(F)(F)F

InChI

InChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-12(8-9)18-11-6-4-10(17)5-7-11/h1-8H,17H2

InChIKey

VPVKXXRMSWUGHE-UHFFFAOYSA-N

Compound name

4-[3-(trifluoromethyl)phenoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 253.07144 Da
Monoisotopic Mass: 3.8
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]+	254.07872	152.1
[M+Na]+	276.06066	160.9
[M-H]-	252.06416	154.9
[M+NH4]+	271.10526	168.6
[M+K]+	292.03460	156.3
[M+H-H2O]+	236.06870	142.5
[M+HCOO]-	298.06964	172.6
[M+CH3COO]-	312.08529	195.4
[M+Na-2H]-	274.04611	157.4
[M]+	253.07089	147.4
[M]-	253.07199	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe