CID 121553356

1909347-73-4

Structural Information

Molecular Formula

C₇H₅F₂NO₄S

SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N)OC(O2)(F)F

InChI

InChI=1S/C7H5F2NO4S/c8-7(9)13-4-2-1-3-5(6(4)14-7)15(10,11)12/h1-3H,(H2,10,11,12)

InChIKey

MPUAYWRSUBGEMC-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,3-benzodioxole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.99074 Da
Monoisotopic Mass: 1.1
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]+	237.99802	139.5
[M+Na]+	259.97996	151.0
[M-H]-	235.98346	143.4
[M+NH4]+	255.02456	159.7
[M+K]+	275.95390	150.5
[M+H-H2O]+	219.98800	134.5
[M+HCOO]-	281.98894	155.1
[M+CH3COO]-	296.00459	185.8
[M+Na-2H]-	257.96541	147.2
[M]+	236.99019	141.6
[M]-	236.99129	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe