CID 3690

Ifosfamide

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
C1CN(P(=O)(OC1)NCCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)
InChIKey
HOMGKSMUEGBAAB-UHFFFAOYSA-N
Compound name
N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6688
References

57435
Patents

260.0248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03208 151.4
[M+Na]+ 283.01402 158.3
[M-H]- 259.01752 151.9
[M+NH4]+ 278.05862 169.0
[M+K]+ 298.98796 155.4
[M+H-H2O]+ 243.02206 144.6
[M+HCOO]- 305.02300 167.1
[M+CH3COO]- 319.03865 193.2
[M+Na-2H]- 280.99947 154.6
[M]+ 260.02425 153.6
[M]- 260.02535 153.6
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.