CID 65805

Sufosfamide

Structural Information

Molecular Formula
C8H18ClN2O5PS
SMILES
CS(=O)(=O)OCCNP1(=O)N(CCCO1)CCCl
InChI
InChI=1S/C8H18ClN2O5PS/c1-18(13,14)16-8-4-10-17(12)11(6-3-9)5-2-7-15-17/h2-8H2,1H3,(H,10,12)
InChIKey
ZSZKJARKHWCBJK-UHFFFAOYSA-N
Compound name
2-[[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

240
Patents

320.03625 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.043526 159.8
[M+Na]+ 343.025468 165.8
[M-H]- 319.028974 161.1
[M+NH4]+ 338.070073 174.8
[M+K]+ 358.999408 164.6
[M+H-H2O]+ 303.033510 152.6
[M+HCOO]- 365.034451 175.2
[M+CH3COO]- 379.050101 200.5
[M+Na-2H]- 341.010916 163.1
[M]+ 320.03570142 165.6
[M]- 320.03679858 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

literature stripe

Patent stripe

patents stripe