CID 3060578

78218-87-8

Structural Information

Molecular Formula
C9H20Cl3N2O3P
SMILES
CC(CNP(=O)(N(CCCl)CCCl)OCCCl)O
InChI
InChI=1S/C9H20Cl3N2O3P/c1-9(15)8-13-18(16,17-7-4-12)14(5-2-10)6-3-11/h9,15H,2-8H2,1H3,(H,13,16)
InChIKey
YXUZYYRBEJNSAO-UHFFFAOYSA-N
Compound name
1-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0277 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03498 172.3
[M+Na]+ 363.01692 179.1
[M+NH4]+ 358.06152 177.2
[M+K]+ 378.99086 174.5
[M-H]- 339.02042 169.5
[M+Na-2H]- 361.00237 172.8
[M]+ 340.02715 172.7
[M]- 340.02825 172.7
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.