CID 46535

64038-67-1

Structural Information

Molecular Formula

C₅H₆F₆N₂

SMILES

C1CNC(N1)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C5H6F6N2/c6-4(7,8)3(5(9,10)11)12-1-2-13-3/h12-13H,1-2H2

InChIKey

XAFPAHIEZRCRGX-UHFFFAOYSA-N

Compound name

2,2-bis(trifluoromethyl)imidazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.04352 Da
Monoisotopic Mass: 1.3
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]+	209.05080	136.1
[M+Na]+	231.03274	144.3
[M-H]-	207.03624	126.7
[M+NH4]+	226.07734	154.2
[M+K]+	247.00668	140.8
[M+H-H2O]+	191.04078	126.5
[M+HCOO]-	253.04172	144.6
[M+CH3COO]-	267.05737	176.5
[M+Na-2H]-	229.01819	140.3
[M]+	208.04297	121.3
[M]-	208.04407	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe