CID 162441

40906-82-9

Structural Information

Molecular Formula

C₉H₆F₆O₄S₂

SMILES

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

InChI

InChI=1S/C9H6F6O4S2/c10-8(11,12)20(16,17)7(6-4-2-1-3-5-6)21(18,19)9(13,14)15/h1-5,7H

InChIKey

ZMWKYYJODBYKHO-UHFFFAOYSA-N

Compound name

bis(trifluoromethylsulfonyl)methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 355.96118 Da
Monoisotopic Mass: 3.0
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]+	356.96846	186.0
[M+Na]+	378.95040	188.2
[M+NH4]+	373.99500	186.4
[M+K]+	394.92434	183.9
[M-H]-	354.95390	177.3
[M+Na-2H]-	376.93585	184.3
[M]+	355.96063	184.0
[M]-	355.96173	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe