CID 3088217

N,n-bis(2-chloroethyl)-n''-cyclohexyl-n',n'-dimethylphosphoric triamide

Structural Information

Molecular Formula

C₁₂H₂₆Cl₂N₃OP

SMILES

CN(C)P(=O)(NC1CCCCC1)N(CCCl)CCCl

InChI

InChI=1S/C12H26Cl2N3OP/c1-16(2)19(18,17(10-8-13)11-9-14)15-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,15,18)

InChIKey

HXMBVGLWFMNZQG-UHFFFAOYSA-N

Compound name

N-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.11905 Da
Monoisotopic Mass: 2.6
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]+	330.126326	177.6
[M+Na]+	352.108268	180.0
[M-H]-	328.111774	180.5
[M+NH4]+	347.152873	193.5
[M+K]+	368.082208	177.1
[M+H-H2O]+	312.116310	169.6
[M+HCOO]-	374.117251	195.3
[M+CH3COO]-	388.132901	219.5
[M+Na-2H]-	350.093716	176.6
[M]+	329.11850142	179.6
[M]-	329.11959858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.