CID 115317

3-(2-chloroethyl)-2-(2-chloroethyl)amino-4-hydroxytetrahydro-2h-1,3,2-oxazaphosphorine

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
C1COP(N(C1O)CCCl)NCCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14-11(5-3-9)7(12)1-6-13-14/h7,10,12H,1-6H2
InChIKey
KBAQLVNTAURQRP-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-2-(2-chloroethylamino)-1,3,2-oxazaphosphinan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.0248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03208 155.8
[M+Na]+ 283.01402 162.0
[M-H]- 259.01752 154.9
[M+NH4]+ 278.05862 171.0
[M+K]+ 298.98796 158.6
[M+H-H2O]+ 243.02206 148.5
[M+HCOO]- 305.02300 169.7
[M+CH3COO]- 319.03865 193.1
[M+Na-2H]- 280.99947 156.3
[M]+ 260.02425 156.9
[M]- 260.02535 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.