CID 15666927

52399-90-3

Structural Information

Molecular Formula

C₅H₁₂BrO₂P

SMILES

CCOP(=O)(C)CCBr

InChI

InChI=1S/C5H12BrO2P/c1-3-8-9(2,7)5-4-6/h3-5H2,1-2H3

InChIKey

ODSBMTQUTBIVCM-UHFFFAOYSA-N

Compound name

1-bromo-2-[ethoxy(methyl)phosphoryl]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 213.97583 Da
Monoisotopic Mass: 0.6
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]+	214.98311	149.0
[M+Na]+	236.96505	160.5
[M-H]-	212.96855	151.2
[M+NH4]+	232.00965	172.0
[M+K]+	252.93899	150.8
[M+H-H2O]+	196.97309	147.9
[M+HCOO]-	258.97403	174.2
[M+CH3COO]-	272.98968	185.0
[M+Na-2H]-	234.95050	153.9
[M]+	213.97528	171.3
[M]-	213.97638	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe