CID 20530

Cytoxal alcohol

Structural Information

Molecular Formula
C7H17Cl2N2O3P
SMILES
C(CNP(=O)(N(CCCl)CCCl)O)CO
InChI
InChI=1S/C7H17Cl2N2O3P/c8-2-5-11(6-3-9)15(13,14)10-4-1-7-12/h12H,1-7H2,(H2,10,13,14)
InChIKey
FYMCFKPEIMXMOB-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl)amino-(3-hydroxypropylamino)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

278.03537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04265 158.6
[M+Na]+ 301.02459 165.3
[M+NH4]+ 296.06919 163.7
[M+K]+ 316.99853 161.3
[M-H]- 277.02809 155.8
[M+Na-2H]- 299.01004 159.4
[M]+ 278.03482 158.7
[M]- 278.03592 158.7
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

patents stripe