CID 99769

4-hydroperoxyifosfamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₄P

SMILES

C1COP(=O)(N(C1OO)CCCl)NCCCl

InChI

InChI=1S/C7H15Cl2N2O4P/c8-2-4-10-16(13)11(5-3-9)7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)

InChIKey

YGZIWEZFFBPCLN-UHFFFAOYSA-N

Compound name

N,3-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 27
References: 1227
Patents: 292.01465 Da
Monoisotopic Mass: 0.3
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]+	293.02193	154.7
[M+Na]+	315.00387	161.9
[M-H]-	291.00737	154.4
[M+NH4]+	310.04847	170.6
[M+K]+	330.97781	159.4
[M+H-H2O]+	275.01191	148.4
[M+HCOO]-	337.01285	169.5
[M+CH3COO]-	351.02850	196.1
[M+Na-2H]-	312.98932	157.5
[M]+	292.01410	158.4
[M]-	292.01520	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe