CID 91169586

1,1,1,2,2,3,3-heptafluoroundecane

Structural Information

Molecular Formula

C₁₁H₁₇F₇

SMILES

CCCCCCCCC(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H17F7/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)18/h2-8H2,1H3

InChIKey

GYYDJQOVDQUWPI-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3-heptafluoroundecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 282.12186 Da
Monoisotopic Mass: 6.6
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]+	283.12914	160.5
[M+Na]+	305.11108	167.3
[M-H]-	281.11458	151.4
[M+NH4]+	300.15568	176.2
[M+K]+	321.08502	164.1
[M+H-H2O]+	265.11912	150.2
[M+HCOO]-	327.12006	170.4
[M+CH3COO]-	341.13571	203.1
[M+Na-2H]-	303.09653	162.8
[M]+	282.12131	152.5
[M]-	282.12241	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe