CID 10014096

116384-56-6

Structural Information

Molecular Formula

C₇H₁₆ClO₄P

SMILES

CCOP(=O)(COCCCl)OCC

InChI

InChI=1S/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3

InChIKey

SRYMPIRBPPQDPD-UHFFFAOYSA-N

Compound name

1-chloro-2-(diethoxyphosphorylmethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 230.04747 Da
Monoisotopic Mass: 0.7
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]+	231.05475	148.9
[M+Na]+	253.03669	156.8
[M-H]-	229.04019	148.1
[M+NH4]+	248.08129	168.7
[M+K]+	269.01063	155.6
[M+H-H2O]+	213.04473	142.9
[M+HCOO]-	275.04567	172.8
[M+CH3COO]-	289.06132	188.5
[M+Na-2H]-	251.02214	152.7
[M]+	230.04692	158.8
[M]-	230.04802	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe