CID 3060574

78218-83-4

Structural Information

Molecular Formula
C8H18Cl3N2O3P
SMILES
C(CO)NP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C8H18Cl3N2O3P/c9-1-5-13(6-2-10)17(15,12-4-7-14)16-8-3-11/h14H,1-8H2,(H,12,15)
InChIKey
UPYJIAHPKPSYET-UHFFFAOYSA-N
Compound name
2-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.01205 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.019326 167.7
[M+Na]+ 349.001268 173.7
[M-H]- 325.004774 165.5
[M+NH4]+ 344.045873 183.4
[M+K]+ 364.975208 169.2
[M+H-H2O]+ 309.009310 162.8
[M+HCOO]- 371.010251 181.5
[M+CH3COO]- 385.025901 209.2
[M+Na-2H]- 346.986716 168.7
[M]+ 326.01150142 174.9
[M]- 326.01259858 174.9
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.