CID 124143

Carboxyifosfamide

Structural Information

Molecular Formula
C7H15Cl2N2O4P
SMILES
C(COP(=O)(NCCCl)NCCCl)C(=O)O
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-10-16(14,11-5-3-9)15-6-1-7(12)13/h1-6H2,(H,12,13)(H2,10,11,14)
InChIKey
DNDBVHDNSYHKLI-UHFFFAOYSA-N
Compound name
3-bis(2-chloroethylamino)phosphoryloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

0
Patents

292.01465 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02193 159.1
[M+Na]+ 315.00387 165.2
[M-H]- 291.00737 156.5
[M+NH4]+ 310.04847 175.2
[M+K]+ 330.97781 161.3
[M+H-H2O]+ 275.01191 153.7
[M+HCOO]- 337.01285 177.7
[M+CH3COO]- 351.02850 200.2
[M+Na-2H]- 312.98932 161.3
[M]+ 292.01410 164.9
[M]- 292.01520 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.