CID 43163725

(2,2-difluoroethyl)(propyl)amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁F₂N

SMILES

CCCNCC(F)F

InChI

InChI=1S/C5H11F2N/c1-2-3-8-4-5(6)7/h5,8H,2-4H2,1H3

InChIKey

KOKUXMUYTYYZTN-UHFFFAOYSA-N

Compound name

N-(2,2-difluoroethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 123.08595 Da
Monoisotopic Mass: 1.5
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]+	124.09323	123.6
[M+Na]+	146.07517	130.1
[M-H]-	122.07867	121.2
[M+NH4]+	141.11977	145.6
[M+K]+	162.04911	129.8
[M+H-H2O]+	106.08321	117.1
[M+HCOO]-	168.08415	145.6
[M+CH3COO]-	182.09980	175.3
[M+Na-2H]-	144.06062	129.0
[M]+	123.08540	120.6
[M]-	123.08650	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe