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 155.0
[M+Na]+ 316.97506 161.6
[M-H]- 292.97856 154.7
[M+NH4]+ 312.01966 171.2
[M+K]+ 332.94900 158.3
[M+H-H2O]+ 276.98310 149.2
[M+HCOO]- 338.98404 164.4
[M+CH3COO]- 352.99969 199.1
[M+Na-2H]- 314.96051 156.3
[M]+ 293.98529 156.7
[M]- 293.98639 156.7
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.