CID 33676

4-ketocyclophosphamide

Structural Information

Molecular Formula
C7H13Cl2N2O3P
SMILES
C1COP(=O)(NC1=O)N(CCCl)CCCl
InChI
InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)
InChIKey
VBMZHOCORXMDJU-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

15
Patents

274.0041 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01138 151.8
[M+Na]+ 296.99332 158.7
[M-H]- 272.99682 152.6
[M+NH4]+ 292.03792 168.7
[M+K]+ 312.96726 156.3
[M+H-H2O]+ 257.00136 145.3
[M+HCOO]- 319.00230 167.1
[M+CH3COO]- 333.01795 195.2
[M+Na-2H]- 294.97877 154.2
[M]+ 274.00355 154.3
[M]- 274.00465 154.3
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