CID 23317115

1432680-00-6

Structural Information

Molecular Formula

C₁₃H₁₉F₃N₂

SMILES

CCN(CC)CCNC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C13H19F3N2/c1-3-18(4-2)9-8-17-12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3

InChIKey

VOELOYNDQAIWOE-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 260.15002 Da
Monoisotopic Mass: 3.6
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]+	261.157296	158.8
[M+Na]+	283.139238	164.6
[M-H]-	259.142744	159.4
[M+NH4]+	278.183843	175.8
[M+K]+	299.113178	162.0
[M+H-H2O]+	243.147280	149.2
[M+HCOO]-	305.148221	179.8
[M+CH3COO]-	319.163871	205.7
[M+Na-2H]-	281.124686	162.7
[M]+	260.14947142	156.1
[M]-	260.15056858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe