CID 3060572

Phosphorodiamidic acid, n,n-bis(2-chloroethyl)-n'-(4-hydroxybutyl)-, (2-chloroethyl) ester

Structural Information

Molecular Formula
C10H22Cl3N2O3P
SMILES
C(CCO)CNP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C10H22Cl3N2O3P/c11-3-7-15(8-4-12)19(17,18-10-5-13)14-6-1-2-9-16/h16H,1-10H2,(H,14,17)
InChIKey
XXBMSTCOPVXLOM-UHFFFAOYSA-N
Compound name
4-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04337 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05065 176.7
[M+Na]+ 377.03259 182.0
[M-H]- 353.03609 174.2
[M+NH4]+ 372.07719 191.4
[M+K]+ 393.00653 177.0
[M+H-H2O]+ 337.04063 171.4
[M+HCOO]- 399.04157 190.0
[M+CH3COO]- 413.05722 214.9
[M+Na-2H]- 375.01804 176.8
[M]+ 354.04282 184.7
[M]- 354.04392 184.7
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.