CID 283500

Diethyl (3-bromopropyl)phosphonate

Structural Information

Molecular Formula

C₇H₁₆BrO₃P

SMILES

CCOP(=O)(CCCBr)OCC

InChI

InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3

InChIKey

PEIKTSJIUKYDPC-UHFFFAOYSA-N

Compound name

1-bromo-3-diethoxyphosphorylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 701
Patents: 258.00204 Da
Monoisotopic Mass: 1.3
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]+	259.00932	160.8
[M+Na]+	280.99126	171.3
[M-H]-	256.99476	162.5
[M+NH4]+	276.03586	182.0
[M+K]+	296.96520	161.5
[M+H-H2O]+	240.99930	158.9
[M+HCOO]-	303.00024	185.5
[M+CH3COO]-	317.01589	192.5
[M+Na-2H]-	278.97671	164.7
[M]+	258.00149	185.0
[M]-	258.00259	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe