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]+ 293.021926 159.1
[M+Na]+ 315.003868 165.2
[M-H]- 291.007374 156.5
[M+NH4]+ 310.048473 175.2
[M+K]+ 330.977808 161.3
[M+H-H2O]+ 275.011910 153.7
[M+HCOO]- 337.012851 177.7
[M+CH3COO]- 351.028501 200.2
[M+Na-2H]- 312.989316 161.3
[M]+ 292.01410142 164.9
[M]- 292.01519858 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.