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: 6677
References: 57007
Patents: 260.0248 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe