CID 10968705

60164-51-4

Structural Information

Molecular Formula

C₅F₁₂O

SMILES

C(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F

InChI

InChI=1S/C5F12O/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13

InChIKey

YBVRDNKKIWCSHJ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 63
Patents: 303.97574 Da
Monoisotopic Mass: 4.5
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]+	304.98302	150.9
[M+Na]+	326.96496	161.1
[M-H]-	302.96846	138.0
[M+NH4]+	322.00956	164.9
[M+K]+	342.93890	158.9
[M+H-H2O]+	286.97300	138.4
[M+HCOO]-	348.97394	154.7
[M+CH3COO]-	362.98959	203.1
[M+Na-2H]-	324.95041	155.3
[M]+	303.97519	133.3
[M]-	303.97629	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe