CID 3060704

B 727

Structural Information

Molecular Formula

C₈H₁₇Cl₂N₂O₂P

SMILES

CC1C(OP(=O)(N1)N(CCCl)CCCl)C

InChI

InChI=1S/C8H17Cl2N2O2P/c1-7-8(2)14-15(13,11-7)12(5-3-9)6-4-10/h7-8H,3-6H2,1-2H3,(H,11,13)

InChIKey

BHCFYGDNRSKVKV-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	156.8
[M+Na]+	297.029688	164.7
[M-H]-	273.033194	157.9
[M+NH4]+	292.074293	175.9
[M+K]+	313.003628	161.7
[M+H-H2O]+	257.037730	150.6
[M+HCOO]-	319.038671	173.2
[M+CH3COO]-	333.054321	197.7
[M+Na-2H]-	295.015136	156.6
[M]+	274.03992142	160.9
[M]-	274.04101858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.