CID 16788367

96788-00-0

Structural Information

Molecular Formula

C₁₁H₁₅F₃N₂

SMILES

CN(C)C(CN)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C11H15F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,7,15H2,1-2H3

InChIKey

WSFINPCMQGMMKB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 232.11873 Da
Monoisotopic Mass: 1.7
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]+	233.12601	152.5
[M+Na]+	255.10795	159.7
[M+NH4]+	250.15255	158.0
[M+K]+	271.08189	155.2
[M-H]-	231.11145	150.7
[M+Na-2H]-	253.09340	156.4
[M]+	232.11818	152.6
[M]-	232.11928	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe