CID 211031

22089-17-4

Structural Information

Molecular Formula

C₈H₁₇Cl₂N₂O₂P

SMILES

CN1CCCOP1(=O)N(CCCl)CCCl

InChI

InChI=1S/C8H17Cl2N2O2P/c1-11-5-2-8-14-15(11,13)12(6-3-9)7-4-10/h2-8H2,1H3

InChIKey

GTSZJFSUYZICDS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	275.04775	155.2
[M+Na]+	297.02969	161.9
[M-H]-	273.03319	157.1
[M+NH4]+	292.07429	173.0
[M+K]+	313.00363	160.2
[M+H-H2O]+	257.03773	148.1
[M+HCOO]-	319.03867	171.2
[M+CH3COO]-	333.05432	199.5
[M+Na-2H]-	295.01514	157.3
[M]+	274.03992	159.2
[M]-	274.04102	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe