CID 11515508

2-methyl-2-trifluoromethylperfluoropentane

Structural Information

Molecular Formula

C₇H₃F₁₃

SMILES

CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C7H3F13/c1-2(5(12,13)14,6(15,16)17)3(8,9)4(10,11)7(18,19)20/h1H3

InChIKey

YYCWIWYZXFOZFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 334.00272 Da
Monoisotopic Mass: 5.6
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]+	335.01000	177.7
[M+Na]+	356.99194	177.9
[M+NH4]+	352.03654	177.0
[M+K]+	372.96588	176.5
[M-H]-	332.99544	173.3
[M+Na-2H]-	354.97739	176.1
[M]+	334.00217	176.3
[M]-	334.00327	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe