CID 98420

B 506

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₂P

SMILES

CC1CNP(=O)(O1)N(CCCl)CCCl

InChI

InChI=1S/C7H15Cl2N2O2P/c1-7-6-10-14(12,13-7)11(4-2-8)5-3-9/h7H,2-6H2,1H3,(H,10,12)

InChIKey

QOFSLGSIIWFEPT-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-5-methyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 260.0248 Da
Monoisotopic Mass: 0.8
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]+	261.032076	152.7
[M+Na]+	283.014018	160.1
[M-H]-	259.017524	153.5
[M+NH4]+	278.058623	172.0
[M+K]+	298.987958	157.4
[M+H-H2O]+	243.022060	146.3
[M+HCOO]-	305.023001	169.4
[M+CH3COO]-	319.038651	193.6
[M+Na-2H]-	280.999466	153.5
[M]+	260.02425142	156.1
[M]-	260.02534858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe