CID 38347

4-hydroperoxy cyclophosphamide

Structural Information

Molecular Formula
C7H15Cl2N2O4P
SMILES
C1COP(=O)(NC1OO)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)
InChIKey
VPAWVRUHMJVRHU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

348
References

15871
Patents

292.01465 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02193 156.9
[M+Na]+ 315.00387 165.6
[M+NH4]+ 310.04847 163.9
[M+K]+ 330.97781 159.9
[M-H]- 291.00737 156.8
[M+Na-2H]- 312.98932 160.0
[M]+ 292.01410 158.3
[M]- 292.01520 158.3
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