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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12633 177.6
[M+Na]+ 352.10827 180.0
[M-H]- 328.11177 180.5
[M+NH4]+ 347.15287 193.5
[M+K]+ 368.08221 177.1
[M+H-H2O]+ 312.11631 169.6
[M+HCOO]- 374.11725 195.3
[M+CH3COO]- 388.13290 219.5
[M+Na-2H]- 350.09372 176.6
[M]+ 329.11850 179.6
[M]- 329.11960 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.