CID 2907

Cyclophosphamide

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
C1CNP(=O)(OC1)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
InChIKey
CMSMOCZEIVJLDB-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

55703
References

99685
Patents

260.0248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03208 151.7
[M+Na]+ 283.01402 157.5
[M-H]- 259.01752 152.0
[M+NH4]+ 278.05862 169.0
[M+K]+ 298.98796 155.0
[M+H-H2O]+ 243.02206 144.8
[M+HCOO]- 305.02300 166.5
[M+CH3COO]- 319.03865 192.8
[M+Na-2H]- 280.99947 154.4
[M]+ 260.02425 153.0
[M]- 260.02535 153.0
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.