CID 3051112

4-hydroperoxytriofosfamide

Structural Information

Molecular Formula
C9H18Cl3N2O3P
SMILES
C1COP(N(C1OO)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C9H18Cl3N2O3P/c10-2-5-13(6-3-11)18-14(7-4-12)9(17-15)1-8-16-18/h9,15H,1-8H2
InChIKey
YHNIEIWWJAPJNF-UHFFFAOYSA-N
Compound name
N,N,3-tris(2-chloroethyl)-4-hydroperoxy-1,3,2-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.01205 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01933 168.7
[M+Na]+ 361.00127 178.4
[M+NH4]+ 356.04587 175.0
[M+K]+ 376.97521 172.7
[M-H]- 337.00477 169.5
[M+Na-2H]- 358.98672 170.5
[M]+ 338.01150 170.8
[M]- 338.01260 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.