CID 116871

Brn 0013639

Structural Information

Molecular Formula

C₈H₁₇Cl₂N₂O₂P

SMILES

C1CCOP(=O)(NC1)N(CCCl)CCCl

InChI

InChI=1S/C8H17Cl2N2O2P/c9-3-6-12(7-4-10)15(13)11-5-1-2-8-14-15/h1-8H2,(H,11,13)

InChIKey

VTLAANPLIFGAFQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.04047 Da
Monoisotopic Mass: 1.0
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	151.6
[M+Na]+	297.02969	156.6
[M-H]-	273.03319	152.6
[M+NH4]+	292.07429	167.3
[M+K]+	313.00363	158.1
[M+H-H2O]+	257.03773	142.8
[M+HCOO]-	319.03867	165.8
[M+CH3COO]-	333.05432	196.8
[M+Na-2H]-	295.01514	153.8
[M]+	274.03992	149.7
[M]-	274.04102	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe