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 171.9
[M+Na]+ 363.01692 177.3
[M-H]- 339.02042 169.7
[M+NH4]+ 358.06152 187.1
[M+K]+ 378.99086 173.1
[M+H-H2O]+ 323.02496 167.1
[M+HCOO]- 385.02590 184.6
[M+CH3COO]- 399.04155 212.8
[M+Na-2H]- 361.00237 171.3
[M]+ 340.02715 179.0
[M]- 340.02825 179.0
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.