CID 320153

5-bromo-cyclophosphamide

Structural Information

Molecular Formula

C₇H₁₄BrCl₂N₂O₂P

SMILES

C1C(COP(=O)(N1)N(CCCl)CCCl)Br

InChI

InChI=1S/C7H14BrCl2N2O2P/c8-7-5-11-15(13,14-6-7)12(3-1-9)4-2-10/h7H,1-6H2,(H,11,13)

InChIKey

FANXZPANFQUGNC-UHFFFAOYSA-N

Compound name

5-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 337.93533 Da
Monoisotopic Mass: 1.1
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]+	338.94261	164.3
[M+Na]+	360.92455	174.6
[M-H]-	336.92805	167.7
[M+NH4]+	355.96915	182.6
[M+K]+	376.89849	162.5
[M+H-H2O]+	320.93259	163.3
[M+HCOO]-	382.93353	176.8
[M+CH3COO]-	396.94918	202.9
[M+Na-2H]-	358.91000	167.3
[M]+	337.93478	184.2
[M]-	337.93588	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe