CID 58463141

Methyl 2,2-difluoro-2-sulfamoylacetate

Structural Information

Molecular Formula

C₃H₅F₂NO₄S

SMILES

COC(=O)C(F)(F)S(=O)(=O)N

InChI

InChI=1S/C3H5F2NO4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3,(H2,6,8,9)

InChIKey

BLMLJHLSCJVENI-UHFFFAOYSA-N

Compound name

methyl 2,2-difluoro-2-sulfamoylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.99074 Da
Monoisotopic Mass: -0.4
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]+	189.99802	130.3
[M+Na]+	211.97996	138.7
[M-H]-	187.98346	128.0
[M+NH4]+	207.02456	149.5
[M+K]+	227.95390	137.9
[M+H-H2O]+	171.98800	124.2
[M+HCOO]-	233.98894	145.2
[M+CH3COO]-	248.00459	177.8
[M+Na-2H]-	209.96541	134.3
[M]+	188.99019	130.0
[M]-	188.99129	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe