CID 144101

65094-22-6

Structural Information

Molecular Formula

C₅H₁₀BrF₂O₃P

SMILES

CCOP(=O)(C(F)(F)Br)OCC

InChI

InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3

InChIKey

QRADKVYIJIAENZ-UHFFFAOYSA-N

Compound name

1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2296
Patents: 265.9519 Da
Monoisotopic Mass: 1.8
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]+	266.95918	155.3
[M+Na]+	288.94112	153.9
[M+NH4]+	283.98572	156.8
[M+K]+	304.91506	156.0
[M-H]-	264.94462	149.0
[M+Na-2H]-	286.92657	153.4
[M]+	265.95135	151.8
[M]-	265.95245	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe