CID 81186415

2490400-70-7

Structural Information

Molecular Formula

C₄H₉F₂NO₂S

SMILES

C(CN)CS(=O)(=O)C(F)F

InChI

InChI=1S/C4H9F2NO2S/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2

InChIKey

FZRAZPDBGURATC-UHFFFAOYSA-N

Compound name

3-(difluoromethylsulfonyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.03221 Da
Monoisotopic Mass: 0.0
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]+	174.03949	129.8
[M+Na]+	196.02143	137.4
[M-H]-	172.02493	127.1
[M+NH4]+	191.06603	149.8
[M+K]+	211.99537	135.6
[M+H-H2O]+	156.02947	123.2
[M+HCOO]-	218.03041	145.1
[M+CH3COO]-	232.04606	177.9
[M+Na-2H]-	194.00688	131.9
[M]+	173.03166	128.3
[M]-	173.03276	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.