CID 216857

Brn 1087438

Structural Information

Molecular Formula
C10H21Cl2N2O5PS
SMILES
CS(=O)(=O)OCCN(CCCl)P1(=O)N(CCCO1)CCCl
InChI
InChI=1S/C10H21Cl2N2O5PS/c1-21(16,17)19-10-8-14(7-4-12)20(15)13(6-3-11)5-2-9-18-20/h2-10H2,1H3
InChIKey
OUIFHNOKOXWUAI-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl-[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0286 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03588 170.4
[M+Na]+ 405.01782 176.0
[M-H]- 381.02132 172.8
[M+NH4]+ 400.06242 184.2
[M+K]+ 420.99176 174.6
[M+H-H2O]+ 365.02586 163.8
[M+HCOO]- 427.02680 180.9
[M+CH3COO]- 441.04245 213.8
[M+Na-2H]- 403.00327 172.1
[M]+ 382.02805 179.1
[M]- 382.02915 179.1
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.