CID 3060561

78218-69-6

Structural Information

Molecular Formula
C10H21Cl3NO4P
SMILES
C(CCCl)COP(=O)(N(CCCl)CCCl)OCCO
InChI
InChI=1S/C10H21Cl3NO4P/c11-3-1-2-9-17-19(16,18-10-8-15)14(6-4-12)7-5-13/h15H,1-10H2
InChIKey
ZCWXFCLNDSVRSL-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino-(4-chlorobutoxy)phosphoryl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.02737 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03465 173.7
[M+Na]+ 378.01659 179.8
[M-H]- 354.02009 171.4
[M+NH4]+ 373.06119 188.7
[M+K]+ 393.99053 175.4
[M+H-H2O]+ 338.02463 168.7
[M+HCOO]- 400.02557 186.3
[M+CH3COO]- 414.04122 212.1
[M+Na-2H]- 376.00204 173.9
[M]+ 355.02682 183.9
[M]- 355.02792 183.9
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.