CID 9881

Methyl difluoronitroacetate

Structural Information

Molecular Formula

C₃H₃F₂NO₄

SMILES

COC(=O)C([N+](=O)[O-])(F)F

InChI

InChI=1S/C3H3F2NO4/c1-10-2(7)3(4,5)6(8)9/h1H3

InChIKey

WTHNVDSODCAINI-UHFFFAOYSA-N

Compound name

methyl 2,2-difluoro-2-nitroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 155.00302 Da
Monoisotopic Mass: 0.9
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]+	156.01030	121.7
[M+Na]+	177.99224	130.0
[M+NH4]+	173.03684	126.9
[M+K]+	193.96618	130.4
[M-H]-	153.99574	117.7
[M+Na-2H]-	175.97769	123.7
[M]+	155.00247	121.2
[M]-	155.00357	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe