CID 9588339

Cis-5-chlorocyclophosphamide

Structural Information

Molecular Formula
C7H14Cl3N2O2P
SMILES
C1[C@@H](CO[P@@](=O)(N1)N(CCCl)CCCl)Cl
InChI
InChI=1S/C7H14Cl3N2O2P/c8-1-3-12(4-2-9)15(13)11-5-7(10)6-14-15/h7H,1-6H2,(H,11,13)/t7-,15-/m0/s1
InChIKey
SOAIQMUEYYSJNA-ZIDLFYJRSA-N
Compound name
(2S,5S)-5-chloro-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

293.98584 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99312 156.7
[M+Na]+ 316.97506 167.1
[M+NH4]+ 312.01966 164.9
[M+K]+ 332.94900 159.5
[M-H]- 292.97856 157.7
[M+Na-2H]- 314.96051 161.0
[M]+ 293.98529 159.1
[M]- 293.98639 159.1
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

No patent data available for this compound.