CID 2777088

1,1,2-trifluoro-2-chloroethyl 2,2,2-trifluoroethyl ether

Structural Information

Molecular Formula

C₄H₃ClF₆O

SMILES

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

InChI

InChI=1S/C4H3ClF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2

InChIKey

SNVWPWRMMAPUJZ-UHFFFAOYSA-N

Compound name

2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 215.97766 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]+	216.98494	130.3
[M+Na]+	238.96688	140.0
[M-H]-	214.97038	123.4
[M+NH4]+	234.01148	149.5
[M+K]+	254.94082	137.3
[M+H-H2O]+	198.97492	122.5
[M+HCOO]-	260.97586	140.1
[M+CH3COO]-	274.99151	185.1
[M+Na-2H]-	236.95233	134.9
[M]+	215.97711	124.7
[M]-	215.97821	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe