CID 65702

Trofosfamide

Structural Information

Molecular Formula

C₉H₁₈Cl₃N₂O₂P

SMILES

C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl

InChI

InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2

InChIKey

UMKFEPPTGMDVMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 156
References: 54795
Patents: 322.01715 Da
Monoisotopic Mass: 1.8
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]+	323.02443	163.7
[M+Na]+	345.00637	170.0
[M-H]-	321.00987	164.4
[M+NH4]+	340.05097	179.5
[M+K]+	360.98031	167.0
[M+H-H2O]+	305.01441	157.1
[M+HCOO]-	367.01535	173.9
[M+CH3COO]-	381.03100	207.3
[M+Na-2H]-	342.99182	164.4
[M]+	322.01660	167.9
[M]-	322.01770	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe