CID 59256915

537031-78-0

Structural Information

Molecular Formula

C₃H₃F₆NO₄S₂

SMILES

CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H3F6NO4S2/c1-10(15(11,12)2(4,5)6)16(13,14)3(7,8)9/h1H3

InChIKey

LMLOOYLJVCUWCD-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 294.94077 Da
Monoisotopic Mass: 1.5
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]+	295.94805	177.0
[M+Na]+	317.92999	177.7
[M+NH4]+	312.97459	177.1
[M+K]+	333.90393	174.5
[M-H]-	293.93349	167.1
[M+Na-2H]-	315.91544	173.4
[M]+	294.94022	174.3
[M]-	294.94132	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe