CID 3060573

78218-82-3

Structural Information

Molecular Formula
C10H23Cl2N2O3P
SMILES
CCOP(=O)(NCCCCO)N(CCCl)CCCl
InChI
InChI=1S/C10H23Cl2N2O3P/c1-2-17-18(16,13-7-3-4-10-15)14(8-5-11)9-6-12/h15H,2-10H2,1H3,(H,13,16)
InChIKey
IEEWHWWNLGVKHT-UHFFFAOYSA-N
Compound name
4-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08234 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08962 172.8
[M+Na]+ 343.07156 177.9
[M-H]- 319.07506 171.0
[M+NH4]+ 338.11616 188.7
[M+K]+ 359.04550 174.1
[M+H-H2O]+ 303.07960 166.5
[M+HCOO]- 365.08054 191.4
[M+CH3COO]- 379.09619 210.3
[M+Na-2H]- 341.05701 173.6
[M]+ 320.08179 180.9
[M]- 320.08289 180.9
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.