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]+ 321.089616 172.8
[M+Na]+ 343.071558 177.9
[M-H]- 319.075064 171.0
[M+NH4]+ 338.116163 188.7
[M+K]+ 359.045498 174.1
[M+H-H2O]+ 303.079600 166.5
[M+HCOO]- 365.080541 191.4
[M+CH3COO]- 379.096191 210.3
[M+Na-2H]- 341.057006 173.6
[M]+ 320.08179142 180.9
[M]- 320.08288858 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.