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]+ 337.06340 172.4
[M+Na]+ 359.04534 177.9
[M-H]- 335.04884 175.5
[M+NH4]+ 354.08994 186.5
[M+K]+ 375.01928 173.8
[M+H-H2O]+ 319.05338 163.3
[M+HCOO]- 381.05432 186.6
[M+CH3COO]- 395.06997 207.3
[M+Na-2H]- 357.03079 173.4
[M]+ 336.05557 173.9
[M]- 336.05667 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.