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 164.2
[M+Na]+ 357.04112 169.8
[M-H]- 333.04462 165.3
[M+NH4]+ 352.08572 178.7
[M+K]+ 373.01506 168.3
[M+H-H2O]+ 317.04916 156.8
[M+HCOO]- 379.05010 179.3
[M+CH3COO]- 393.06575 203.5
[M+Na-2H]- 355.02657 167.1
[M]+ 334.05135 170.4
[M]- 334.05245 170.4
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