CID 216848

Brn 1083553

Structural Information

Molecular Formula
C8H18ClN2O5PS
SMILES
CS(=O)(=O)OCCN1CCCOP1(=O)NCCCl
InChI
InChI=1S/C8H18ClN2O5PS/c1-18(13,14)16-8-6-11-5-2-7-15-17(11,12)10-4-3-9/h2-8H2,1H3,(H,10,12)
InChIKey
YAYVNPIXOHXJPJ-UHFFFAOYSA-N
Compound name
2-[2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.03625 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04353 159.8
[M+Na]+ 343.02547 165.8
[M-H]- 319.02897 161.1
[M+NH4]+ 338.07007 174.8
[M+K]+ 358.99941 164.6
[M+H-H2O]+ 303.03351 152.6
[M+HCOO]- 365.03445 175.2
[M+CH3COO]- 379.05010 200.5
[M+Na-2H]- 341.01092 163.1
[M]+ 320.03570 165.6
[M]- 320.03680 165.6
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