CID 2736861

1,1-dichloro-2,2,2-trifluoroethyl difluoromethyl ether

Structural Information

Molecular Formula

C₃HCl₂F₅O

SMILES

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

InChI

InChI=1S/C3HCl2F5O/c4-2(5,3(8,9)10)11-1(6)7/h1H

InChIKey

BBYDKNMVRSODJU-UHFFFAOYSA-N

Compound name

1,1-dichloro-1-(difluoromethoxy)-2,2,2-trifluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 217.93246 Da
Monoisotopic Mass: 3.4
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]+	218.93974	126.6
[M+Na]+	240.92168	137.0
[M-H]-	216.92518	120.8
[M+NH4]+	235.96628	146.2
[M+K]+	256.89562	133.3
[M+H-H2O]+	200.92972	120.7
[M+HCOO]-	262.93066	133.1
[M+CH3COO]-	276.94631	183.9
[M+Na-2H]-	238.90713	131.9
[M]+	217.93191	123.1
[M]-	217.93301	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe