CID 9588337

Cis-5-fluorocyclophosphamide

Structural Information

Molecular Formula
C7H14Cl2FN2O2P
SMILES
C1[C@@H](CO[P@@](=O)(N1)N(CCCl)CCCl)F
InChI
InChI=1S/C7H14Cl2FN2O2P/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
PBDYZVRPUSRBCR-ZIDLFYJRSA-N
Compound name
(2S,5S)-N,N-bis(2-chloroethyl)-5-fluoro-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.0154 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02268 153.1
[M+Na]+ 301.00462 159.8
[M-H]- 277.00812 152.4
[M+NH4]+ 296.04922 169.9
[M+K]+ 316.97856 157.0
[M+H-H2O]+ 261.01266 145.6
[M+HCOO]- 323.01360 166.9
[M+CH3COO]- 337.02925 196.6
[M+Na-2H]- 298.99007 154.7
[M]+ 278.01485 153.7
[M]- 278.01595 153.7
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.