CID 15767317

948-94-7

Structural Information

Molecular Formula

C₉H₇F₂NO₃

SMILES

CC(=O)NC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C9H7F2NO3/c1-5(13)12-6-2-3-7-8(4-6)15-9(10,11)14-7/h2-4H,1H3,(H,12,13)

InChIKey

LGSMRDRDHHFMJP-UHFFFAOYSA-N

Compound name

N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 215.0394 Da
Monoisotopic Mass: 1.7
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]+	216.04668	144.4
[M+Na]+	238.02862	153.9
[M+NH4]+	233.07322	152.2
[M+K]+	254.00256	149.7
[M-H]-	214.03212	145.4
[M+Na-2H]-	236.01407	148.0
[M]+	215.03885	145.9
[M]-	215.03995	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe