CID 98612

Alcophosphamide

Structural Information

Molecular Formula
C7H17Cl2N2O3P
SMILES
C(CO)COP(=O)(N)N(CCCl)CCCl
InChI
InChI=1S/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)
InChIKey
BZGFIGVSVQRQBJ-UHFFFAOYSA-N
Compound name
3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

278.03537 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04265 159.1
[M+Na]+ 301.02459 165.4
[M-H]- 277.02809 157.3
[M+NH4]+ 296.06919 176.3
[M+K]+ 316.99853 162.0
[M+H-H2O]+ 261.03263 153.4
[M+HCOO]- 323.03357 178.0
[M+CH3COO]- 337.04922 200.9
[M+Na-2H]- 299.01004 160.3
[M]+ 278.03482 165.0
[M]- 278.03592 165.0
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

patents stripe