CID 3041328

Brn 1046727

Structural Information

Molecular Formula
C10H22ClN2O8PS2
SMILES
CS(=O)(=O)OCC(CNP1(=O)N(CCCO1)CCCl)OS(=O)(=O)C
InChI
InChI=1S/C10H22ClN2O8PS2/c1-23(15,16)20-9-10(21-24(2,17)18)8-12-22(14)13(6-4-11)5-3-7-19-22/h10H,3-9H2,1-2H3,(H,12,14)
InChIKey
WTIZWIXHIYSOJS-UHFFFAOYSA-N
Compound name
[3-[[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]-2-methylsulfonyloxypropyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.02438 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.03166 176.5
[M+Na]+ 451.01360 180.0
[M-H]- 427.01710 177.0
[M+NH4]+ 446.05820 186.6
[M+K]+ 466.98754 178.9
[M+H-H2O]+ 411.02164 169.7
[M+HCOO]- 473.02258 184.9
[M+CH3COO]- 487.03823 217.0
[M+Na-2H]- 448.99905 181.0
[M]+ 428.02383 184.8
[M]- 428.02493 184.8
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.