CID 3073113

Dibromofosfamide

Structural Information

Molecular Formula

C₇H₁₅Br₂N₂O₂P

SMILES

C1CN(P(=O)(OC1)NCCBr)CCBr

InChI

InChI=1S/C7H15Br2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)

InChIKey

TXVHTAWUDZTQRX-UHFFFAOYSA-N

Compound name

N,3-bis(2-bromoethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 347.9238 Da
Monoisotopic Mass: 1.2
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]+	348.93108	163.6
[M+Na]+	370.91302	171.9
[M-H]-	346.91652	167.9
[M+NH4]+	365.95762	180.4
[M+K]+	386.88696	157.2
[M+H-H2O]+	330.92106	168.8
[M+HCOO]-	392.92200	180.1
[M+CH3COO]-	406.93765	210.1
[M+Na-2H]-	368.89847	167.6
[M]+	347.92325	197.0
[M]-	347.92435	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe