CID 126997

Chlorobromofosfamide

Structural Information

Molecular Formula

C₇H₁₅BrClN₂O₂P

SMILES

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

InChI

InChI=1S/C7H15BrClN2O2P/c8-2-6-11-5-1-7-13-14(11,12)10-4-3-9/h1-7H2,(H,10,12)

InChIKey

CQEQYBJQFPXKPE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 43
Patents: 303.9743 Da
Monoisotopic Mass: 1.0
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]+	304.98158	161.8
[M+Na]+	326.96352	171.7
[M-H]-	302.96702	165.4
[M+NH4]+	322.00812	180.8
[M+K]+	342.93746	160.5
[M+H-H2O]+	286.97156	159.8
[M+HCOO]-	348.97250	179.8
[M+CH3COO]-	362.98815	198.0
[M+Na-2H]-	324.94897	166.1
[M]+	303.97375	181.5
[M]-	303.97485	181.5

Literature stripe

literature stripe

Patent stripe

patents stripe