CID 84041

Dtxsid10971813

Structural Information

Molecular Formula

C₈H₁₇Cl₂N₂O₂P

SMILES

CC1CCNP(=O)(O1)N(CCCl)CCCl

InChI

InChI=1S/C8H17Cl2N2O2P/c1-8-2-5-11-15(13,14-8)12(6-3-9)7-4-10/h8H,2-7H2,1H3,(H,11,13)

InChIKey

FKEBIELXSBGYPQ-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-6-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 11
Patents: 274.04047 Da
Monoisotopic Mass: 1.2
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]+	275.047746	156.0
[M+Na]+	297.029688	162.3
[M-H]-	273.033194	156.5
[M+NH4]+	292.074293	173.1
[M+K]+	313.003628	159.6
[M+H-H2O]+	257.037730	149.3
[M+HCOO]-	319.038671	170.5
[M+CH3COO]-	333.054321	196.9
[M+Na-2H]-	295.015136	157.5
[M]+	274.03992142	158.1
[M]-	274.04101858	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe