CID 14963555

2266-43-5

Structural Information

Molecular Formula

C₆H₇F₇O₂

SMILES

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

InChI

InChI=1S/C6H7F7O2/c7-4(8,3-15-2-1-14)5(9,10)6(11,12)13/h14H,1-3H2

InChIKey

TZDLXSQBIYOTMV-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 244.03343 Da
Monoisotopic Mass: 1.8
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	143.3
[M+Na]+	267.02265	151.6
[M-H]-	243.02615	133.6
[M+NH4]+	262.06725	159.7
[M+K]+	282.99659	149.7
[M+H-H2O]+	227.03069	133.9
[M+HCOO]-	289.03163	153.8
[M+CH3COO]-	303.04728	189.3
[M+Na-2H]-	265.00810	148.0
[M]+	244.03288	134.4
[M]-	244.03398	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe