CID 9589128

Trans-6-phenylcyclophosphamide

Structural Information

Molecular Formula
C13H19Cl2N2O2P
SMILES
C1CN[P@](=O)(O[C@@H]1C2=CC=CC=C2)N(CCCl)CCCl
InChI
InChI=1S/C13H19Cl2N2O2P/c14-7-10-17(11-8-15)20(18)16-9-6-13(19-20)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,18)/t13-,20-/m0/s1
InChIKey
YZQPJPPCVSPBSH-RBZFPXEDSA-N
Compound name
(2S,6S)-N,N-bis(2-chloroethyl)-2-oxo-6-phenyl-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.05612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.063396 172.4
[M+Na]+ 359.045338 177.9
[M-H]- 335.048844 175.5
[M+NH4]+ 354.089943 186.5
[M+K]+ 375.019278 173.8
[M+H-H2O]+ 319.053380 163.3
[M+HCOO]- 381.054321 186.6
[M+CH3COO]- 395.069971 207.3
[M+Na-2H]- 357.030786 173.4
[M]+ 336.05557142 173.9
[M]- 336.05666858 173.9
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.