CID 134773

Iminocyclophosphamide

Structural Information

Molecular Formula
C7H13Cl2N2O2P
SMILES
C1COP(=O)(N=C1)N(CCCl)CCCl
InChI
InChI=1S/C7H13Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h4H,1-3,5-7H2
InChIKey
WCPGXZCOHAERPQ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-5,6-dihydro-1,3,2lambda5-oxazaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

258.00916 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01644 149.3
[M+Na]+ 280.99838 156.5
[M-H]- 257.00188 151.4
[M+NH4]+ 276.04298 167.5
[M+K]+ 296.97232 154.8
[M+H-H2O]+ 241.00642 142.0
[M+HCOO]- 303.00736 167.0
[M+CH3COO]- 317.02301 195.0
[M+Na-2H]- 278.98383 153.4
[M]+ 258.00861 153.9
[M]- 258.00971 153.9
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

No patent data available for this compound.