CID 2776230

24564-77-0

Structural Information

Molecular Formula

C₁₀H₅F₁₅O

SMILES

C1C(O1)CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3H,1-2H2

InChIKey

NSHDLZDDSBGOKN-UHFFFAOYSA-N

Compound name

2-[2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 95
Patents: 426.0101 Da
Monoisotopic Mass: 5.4
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]+	427.017376	160.1
[M+Na]+	448.999318	169.3
[M-H]-	425.002824	149.0
[M+NH4]+	444.043923	163.8
[M+K]+	464.973258	166.1
[M+H-H2O]+	409.007360	144.3
[M+HCOO]-	471.008301	157.1
[M+CH3COO]-	485.023951	226.4
[M+Na-2H]-	446.984766	165.5
[M]+	426.00955142	141.3
[M]-	426.01064858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe