CID 97627273

1710471-90-1

Structural Information

Molecular Formula

C₇H₅F₂NO₄S

SMILES

C1=CC2=C(C=C1S(=O)(=O)N)OC(O2)(F)F

InChI

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

InChIKey

JSUKLYYLIXQTMW-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,3-benzodioxole-5-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	146.5
[M+Na]+	259.97996	154.8
[M+NH4]+	255.02456	153.7
[M+K]+	275.95390	150.2
[M-H]-	235.98346	146.2
[M+Na-2H]-	257.96541	149.2
[M]+	236.99019	147.9
[M]-	236.99129	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe