CID 117581

25648-69-5

Structural Information

Molecular Formula
C13H20Cl6N2O6
SMILES
CCCC(C)(COC(=O)NC(C(Cl)(Cl)Cl)O)COC(=O)NC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C13H20Cl6N2O6/c1-3-4-11(2,5-26-9(24)20-7(22)12(14,15)16)6-27-10(25)21-8(23)13(17,18)19/h7-8,22-23H,3-6H2,1-2H3,(H,20,24)(H,21,25)
InChIKey
OMCKLQRQFUWZOA-UHFFFAOYSA-N
Compound name
[2-methyl-2-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyloxymethyl]pentyl] N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.94525 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.952526 195.6
[M+Na]+ 532.934468 197.2
[M-H]- 508.937974 189.0
[M+NH4]+ 527.979073 201.5
[M+K]+ 548.908408 195.0
[M+H-H2O]+ 492.942510 196.0
[M+HCOO]- 554.943451 182.0
[M+CH3COO]- 568.959101 230.8
[M+Na-2H]- 530.919916 192.6
[M]+ 509.94470142 195.0
[M]- 509.94579858 195.0
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.