CID 90879701

Schembl5568441

Structural Information

Molecular Formula

C₄H₆F₄O₂

SMILES

CC(O)OC(C(F)F)(F)F

InChI

InChI=1S/C4H6F4O2/c1-2(9)10-4(7,8)3(5)6/h2-3,9H,1H3

InChIKey

PKNLYPATYVFSFJ-UHFFFAOYSA-N

Compound name

1-(1,1,2,2-tetrafluoroethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 162.0304 Da
Monoisotopic Mass: 1.5
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]+	163.037676	125.8
[M+Na]+	185.019618	133.5
[M-H]-	161.023124	119.9
[M+NH4]+	180.064223	145.6
[M+K]+	200.993558	133.5
[M+H-H2O]+	145.027660	118.7
[M+HCOO]-	207.028601	141.5
[M+CH3COO]-	221.044251	175.7
[M+Na-2H]-	183.005066	129.3
[M]+	162.02985142	120.4
[M]-	162.03094858	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe