CID 43258989

1,1,1-trifluoro-n-propylmethanesulfonamide

Structural Information

Molecular Formula

C₄H₈F₃NO₂S

SMILES

CCCNS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C4H8F3NO2S/c1-2-3-8-11(9,10)4(5,6)7/h8H,2-3H2,1H3

InChIKey

HVAHEUCZAOEMDI-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-N-propylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 298
Patents: 191.02278 Da
Monoisotopic Mass: 1.4
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]+	192.03006	132.1
[M+Na]+	214.01200	140.3
[M-H]-	190.01550	128.8
[M+NH4]+	209.05660	151.7
[M+K]+	229.98594	138.5
[M+H-H2O]+	174.02004	125.0
[M+HCOO]-	236.02098	146.5
[M+CH3COO]-	250.03663	180.3
[M+Na-2H]-	211.99745	136.7
[M]+	191.02223	130.3
[M]-	191.02333	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe