CID 69617

Hexafluoro-2,2-propanediol

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: 42
References: 409
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	126.7
[M+Na]+	206.98512	135.8
[M-H]-	182.98862	117.4
[M+NH4]+	202.02972	145.0
[M+K]+	222.95906	134.3
[M+H-H2O]+	166.99316	119.2
[M+HCOO]-	228.99410	137.8
[M+CH3COO]-	243.00975	174.1
[M+Na-2H]-	204.97057	133.1
[M]+	183.99535	116.1
[M]-	183.99645	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe