CID 136149

N,n-diethyl-1,1,2,3,3,3-hexafluoropropylamine

Structural Information

Molecular Formula

C₇H₁₁F₆N

SMILES

CCN(CC)C(C(C(F)(F)F)F)(F)F

InChI

InChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3

InChIKey

BNTFCVMJHBNJAR-UHFFFAOYSA-N

Compound name

N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1135
Patents: 223.07957 Da
Monoisotopic Mass: 3.3
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]+	224.08685	142.2
[M+Na]+	246.06879	149.3
[M-H]-	222.07229	136.2
[M+NH4]+	241.11339	160.6
[M+K]+	262.04273	148.9
[M+H-H2O]+	206.07683	132.6
[M+HCOO]-	268.07777	156.6
[M+CH3COO]-	282.09342	196.6
[M+Na-2H]-	244.05424	144.7
[M]+	223.07902	134.6
[M]-	223.08012	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe