CID 11102375

1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane

Structural Information

Molecular Formula

C₇H₅F₁₁

SMILES

CCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H5F11/c1-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3

InChIKey

ADXRMDFVKSPFQM-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 295
Patents: 298.02155 Da
Monoisotopic Mass: 4.9
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]+	299.02883	153.2
[M+Na]+	321.01077	162.6
[M-H]-	297.01427	141.1
[M+NH4]+	316.05537	167.7
[M+K]+	336.98471	159.9
[M+H-H2O]+	281.01881	141.3
[M+HCOO]-	343.01975	157.2
[M+CH3COO]-	357.03540	204.6
[M+Na-2H]-	318.99622	157.1
[M]+	298.02100	136.5
[M]-	298.02210	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe