CID 98452307

1287702-47-9

Structural Information

Molecular Formula

C₁₈H₁₉F₁₉

SMILES

CCCCCCCCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H19F19/c1-2-3-4-5-6-7-8-9-10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h2-9H2,1H3

InChIKey

IBMIKGQEDHLOMX-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorooctadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 596.11835 Da
Monoisotopic Mass: 11.2
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]+	597.125626	193.3
[M+Na]+	619.107568	197.8
[M-H]-	595.111074	197.5
[M+NH4]+	614.152173	202.1
[M+K]+	635.081508	209.6
[M+H-H2O]+	579.115610	181.2
[M+HCOO]-	641.116551	211.4
[M+CH3COO]-	655.132201	255.5
[M+Na-2H]-	617.093016	190.5
[M]+	596.11780142	191.8
[M]-	596.11889858	191.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.