CID 11207869

99722-81-3

Structural Information

Molecular Formula

C₈H₄F₃NO₄S

SMILES

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

InChI

InChI=1S/C8H4F3NO4S/c9-8(10,11)16-6-3-1-2-4-7(6)17(14,15)12-5-13/h1-4H

InChIKey

WBOGEOPCZKEEIM-UHFFFAOYSA-N

Compound name

N-(oxomethylidene)-2-(trifluoromethoxy)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 266.98132 Da
Monoisotopic Mass: 3.5
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]+	267.98860	157.3
[M+Na]+	289.97054	164.4
[M+NH4]+	285.01514	161.0
[M+K]+	305.94448	159.2
[M-H]-	265.97404	152.6
[M+Na-2H]-	287.95599	160.0
[M]+	266.98077	157.0
[M]-	266.98187	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe