CID 86110256

3-chloro-3,3-difluoropropan-1-aminehydrochloride

Structural Information

Molecular Formula

C₃H₆ClF₂N

SMILES

C(CN)C(F)(F)Cl

InChI

InChI=1S/C3H6ClF2N/c4-3(5,6)1-2-7/h1-2,7H2

InChIKey

WMFKNQDHVSCSJA-UHFFFAOYSA-N

Compound name

3-chloro-3,3-difluoropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.01569 Da
Monoisotopic Mass: 1.0
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]+	130.02297	119.6
[M+Na]+	152.00491	128.4
[M-H]-	128.00841	117.0
[M+NH4]+	147.04951	142.0
[M+K]+	167.97885	125.8
[M+H-H2O]+	112.01295	114.9
[M+HCOO]-	174.01389	136.5
[M+CH3COO]-	188.02954	171.9
[M+Na-2H]-	149.99036	126.4
[M]+	129.01514	116.7
[M]-	129.01624	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.