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: 2385
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	160.0
[M+Na]+	288.94112	171.7
[M-H]-	264.94462	159.7
[M+NH4]+	283.98572	180.7
[M+K]+	304.91506	161.9
[M+H-H2O]+	248.94916	157.2
[M+HCOO]-	310.95010	181.8
[M+CH3COO]-	324.96575	192.4
[M+Na-2H]-	286.92657	164.5
[M]+	265.95135	180.5
[M]-	265.95245	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe