CID 14689855

132182-92-4

Structural Information

Molecular Formula

C₇H₃F₁₃O

SMILES

COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F

InChI

InChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3

InChIKey

QKAGYSDHEJITFV-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1396
Patents: 349.99762 Da
Monoisotopic Mass: 4.6
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]+	351.00490	163.4
[M+Na]+	372.98684	173.2
[M-H]-	348.99034	149.7
[M+NH4]+	368.03144	175.5
[M+K]+	388.96078	170.8
[M+H-H2O]+	332.99488	150.3
[M+HCOO]-	394.99582	164.1
[M+CH3COO]-	409.01147	211.7
[M+Na-2H]-	370.97229	167.3
[M]+	349.99707	144.2
[M]-	349.99817	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe