CID 122960

32778-11-3

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3H2F6O/c4-1(5)3(8,9)10-2(6)7/h1-2H

InChIKey

SLSZYCUCKFSOCN-UHFFFAOYSA-N

Compound name

1-(difluoromethoxy)-1,1,2,2-tetrafluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 532
Patents: 168.00098 Da
Monoisotopic Mass: 1.9
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]+	169.008256	122.8
[M+Na]+	190.990198	131.4
[M-H]-	166.993704	115.8
[M+NH4]+	186.034803	142.8
[M+K]+	206.964138	131.2
[M+H-H2O]+	150.998240	113.8
[M+HCOO]-	212.999181	137.8
[M+CH3COO]-	227.014831	179.4
[M+Na-2H]-	188.975646	126.1
[M]+	168.00043142	114.8
[M]-	168.00152858	114.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe