CID 62734621

N-cyclopropyl-1,1-difluoromethanesulfonamide

Structural Information

Molecular Formula

C₄H₇F₂NO₂S

SMILES

C1CC1NS(=O)(=O)C(F)F

InChI

InChI=1S/C4H7F2NO2S/c5-4(6)10(8,9)7-3-1-2-3/h3-4,7H,1-2H2

InChIKey

OPPZJSDAOQKOOO-UHFFFAOYSA-N

Compound name

N-cyclopropyl-1,1-difluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.01656 Da
Monoisotopic Mass: 0.8
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]+	172.023836	123.0
[M+Na]+	194.005778	132.2
[M-H]-	170.009284	125.2
[M+NH4]+	189.050383	138.4
[M+K]+	209.979718	129.4
[M+H-H2O]+	154.013820	115.5
[M+HCOO]-	216.014761	139.7
[M+CH3COO]-	230.030411	180.5
[M+Na-2H]-	191.991226	127.3
[M]+	171.01601142	124.0
[M]-	171.01710858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.