CID 117868

26799-34-8

Structural Information

Molecular Formula

C₇H₁₂F₆N₂O

SMILES

CN(C)CCNC(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C7H12F6N2O/c1-15(2)4-3-14-5(16,6(8,9)10)7(11,12)13/h14,16H,3-4H2,1-2H3

InChIKey

JUWVRBZHGIMTGG-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethylamino]-1,1,1,3,3,3-hexafluoropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.08539 Da
Monoisotopic Mass: 1.4
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]+	255.09267	148.6
[M+Na]+	277.07461	155.0
[M-H]-	253.07811	141.3
[M+NH4]+	272.11921	164.8
[M+K]+	293.04855	154.2
[M+H-H2O]+	237.08265	139.1
[M+HCOO]-	299.08359	162.2
[M+CH3COO]-	313.09924	199.7
[M+Na-2H]-	275.06006	153.1
[M]+	254.08484	139.6
[M]-	254.08594	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe