CID 86690

18261-27-3

Structural Information

Molecular Formula

C₇H₁₁Cl₃O₄

SMILES

CCOC(C(Cl)(Cl)Cl)OC(=O)OCC

InChI

InChI=1S/C7H11Cl3O4/c1-3-12-5(7(8,9)10)14-6(11)13-4-2/h5H,3-4H2,1-2H3

InChIKey

PDKPYZSLHWQFNU-UHFFFAOYSA-N

Compound name

ethyl (2,2,2-trichloro-1-ethoxyethyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 263.9723 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.979576	147.5
[M+Na]+	286.961518	155.8
[M-H]-	262.965024	146.9
[M+NH4]+	282.006123	165.7
[M+K]+	302.935458	153.0
[M+H-H2O]+	246.969560	145.9
[M+HCOO]-	308.970501	154.2
[M+CH3COO]-	322.986151	191.2
[M+Na-2H]-	284.946966	150.8
[M]+	263.97175142	154.8
[M]-	263.97284858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe