CID 142176

37595-74-7

Structural Information

Molecular Formula

C₈H₅F₆NO₄S₂

SMILES

C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H

InChIKey

DIOHEXPTUTVCNX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 16891
Patents: 356.95642 Da
Monoisotopic Mass: 3.1
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]+	357.96370	183.0
[M+Na]+	379.94564	184.7
[M+NH4]+	374.99024	183.4
[M+K]+	395.91958	180.9
[M-H]-	355.94914	174.7
[M+Na-2H]-	377.93109	181.8
[M]+	356.95587	181.0
[M]-	356.95697	181.0

Literature stripe

literature stripe

Patent stripe

patents stripe