CID 3039466

B 568

Structural Information

Molecular Formula

C₇H₁₆ClN₂O₂P

SMILES

CCN(CCCl)P1(=O)NCCCO1

InChI

InChI=1S/C7H16ClN2O2P/c1-2-10(6-4-8)13(11)9-5-3-7-12-13/h2-7H2,1H3,(H,9,11)

InChIKey

IDIGPIZVCYSCSB-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-ethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.0638 Da
Monoisotopic Mass: 0.4
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]+	227.07108	148.3
[M+Na]+	249.05302	153.7
[M-H]-	225.05652	149.1
[M+NH4]+	244.09762	166.5
[M+K]+	265.02696	152.8
[M+H-H2O]+	209.06106	140.6
[M+HCOO]-	271.06200	168.2
[M+CH3COO]-	285.07765	188.2
[M+Na-2H]-	247.03847	151.5
[M]+	226.06325	148.7
[M]-	226.06435	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe