CID 2782372

4,4,5,5,6,6,6-heptafluorohexane-1,2-diol

Structural Information

Molecular Formula

C₆H₇F₇O₂

SMILES

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

InChI

InChI=1S/C6H7F7O2/c7-4(8,1-3(15)2-14)5(9,10)6(11,12)13/h3,14-15H,1-2H2

InChIKey

GGHXTGYWFGCELG-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,6-heptafluorohexane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 49
Patents: 244.03343 Da
Monoisotopic Mass: 1.7
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]+	245.04071	142.7
[M+Na]+	267.02265	150.3
[M-H]-	243.02615	131.6
[M+NH4]+	262.06725	158.3
[M+K]+	282.99659	148.1
[M+H-H2O]+	227.03069	133.7
[M+HCOO]-	289.03163	150.8
[M+CH3COO]-	303.04728	187.5
[M+Na-2H]-	265.00810	145.8
[M]+	244.03288	131.2
[M]-	244.03398	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe