CID 28606997

N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₄H₁₀F₂N₂O₂S

SMILES

C(CN)CNS(=O)(=O)C(F)F

InChI

InChI=1S/C4H10F2N2O2S/c5-4(6)11(9,10)8-3-1-2-7/h4,8H,1-3,7H2

InChIKey

YKNAQADAXRIPAM-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)-1,1-difluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.0431 Da
Monoisotopic Mass: -0.3
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]+	189.050376	133.1
[M+Na]+	211.032318	139.7
[M-H]-	187.035824	130.2
[M+NH4]+	206.076923	152.0
[M+K]+	227.006258	137.8
[M+H-H2O]+	171.040360	125.9
[M+HCOO]-	233.041301	149.3
[M+CH3COO]-	247.056951	182.9
[M+Na-2H]-	209.017766	135.7
[M]+	188.04255142	130.8
[M]-	188.04364858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.