CID 216856

Brn 1084749

Structural Information

Molecular Formula
C9H20ClN2O5PS
SMILES
CS(=O)(=O)OCCCN1CCCOP1(=O)NCCCl
InChI
InChI=1S/C9H20ClN2O5PS/c1-19(14,15)17-9-3-7-12-6-2-8-16-18(12,13)11-5-4-10/h2-9H2,1H3,(H,11,13)
InChIKey
RNHZZBODUNBXRP-UHFFFAOYSA-N
Compound name
3-[2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.0519 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05918 168.6
[M+Na]+ 357.04112 175.6
[M+NH4]+ 352.08572 174.5
[M+K]+ 373.01506 168.8
[M-H]- 333.04462 167.7
[M+Na-2H]- 355.02657 170.9
[M]+ 334.05135 169.7
[M]- 334.05245 169.7
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

patents stripe