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]+ 339.019326 169.4
[M+Na]+ 361.001268 174.9
[M-H]- 337.004774 168.8
[M+NH4]+ 356.045873 182.3
[M+K]+ 376.975208 172.1
[M+H-H2O]+ 321.009310 162.3
[M+HCOO]- 383.010251 178.2
[M+CH3COO]- 397.025901 209.2
[M+Na-2H]- 358.986716 167.9
[M]+ 338.01150142 174.0
[M]- 338.01259858 174.0
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.