CID 3020928

85720-81-6

Structural Information

Molecular Formula

C₅Cl₂F₁₀O

SMILES

C(C(F)(F)F)(C(F)(F)F)(OC(C(F)(F)Cl)(F)Cl)F

InChI

InChI=1S/C5Cl2F10O/c6-2(9,10)3(7,11)18-1(8,4(12,13)14)5(15,16)17

InChIKey

ZLYQMQIBEIPMSS-UHFFFAOYSA-N

Compound name

2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 335.91666 Da
Monoisotopic Mass: 5.0
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]+	336.92394	148.5
[M+Na]+	358.90588	159.7
[M-H]-	334.90938	137.8
[M+NH4]+	353.95048	163.1
[M+K]+	374.87982	154.5
[M+H-H2O]+	318.91392	138.9
[M+HCOO]-	380.91486	146.0
[M+CH3COO]-	394.93051	204.7
[M+Na-2H]-	356.89133	153.9
[M]+	335.91611	137.5
[M]-	335.91721	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe