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]+ 327.01933 167.7
[M+Na]+ 349.00127 173.7
[M-H]- 325.00477 165.5
[M+NH4]+ 344.04587 183.4
[M+K]+ 364.97521 169.2
[M+H-H2O]+ 309.00931 162.8
[M+HCOO]- 371.01025 181.5
[M+CH3COO]- 385.02590 209.2
[M+Na-2H]- 346.98672 168.7
[M]+ 326.01150 174.9
[M]- 326.01260 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.