CID 95987

B-701

Structural Information

Molecular Formula

C₁₀H₂₂Cl₃N₂O₃P

SMILES

C(CNP(=O)(N(CCCl)CCCl)OCCCCl)CO

InChI

InChI=1S/C10H22Cl3N2O3P/c11-3-1-10-18-19(17,14-6-2-9-16)15(7-4-12)8-5-13/h16H,1-10H2,(H,14,17)

InChIKey

VKRFJPYJBOIVPD-UHFFFAOYSA-N

Compound name

3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 354.04337 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]+	355.050646	176.7
[M+Na]+	377.032588	182.0
[M-H]-	353.036094	174.2
[M+NH4]+	372.077193	191.4
[M+K]+	393.006528	177.0
[M+H-H2O]+	337.040630	171.4
[M+HCOO]-	399.041571	190.0
[M+CH3COO]-	413.057221	214.9
[M+Na-2H]-	375.018036	176.8
[M]+	354.04282142	184.7
[M]-	354.04391858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe