CID 69617

677-71-4

Structural Information

Molecular Formula

C₃H₂F₆O₂

SMILES

C(C(F)(F)F)(C(F)(F)F)(O)O

InChI

InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H

InChIKey

AKVXSYUWYXOLMY-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoropropane-2,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 147
Patents: 183.9959 Da
Monoisotopic Mass: 1.1
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]+	185.00318	155.7
[M+Na]+	206.98512	158.5
[M+NH4]+	202.02972	157.0
[M+K]+	222.95906	156.5
[M-H]-	182.98862	146.1
[M+Na-2H]-	204.97057	153.9
[M]+	183.99535	152.9
[M]-	183.99645	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe