CID 139596390

12:2 fluorotelomer aldehyde

Structural Information

Molecular Formula

C₁₄H₃F₂₅O

SMILES

C(C=O)C(C(C(C(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)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H3F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2

InChIKey

OFHYKJHONPWSJU-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 661.97845 Da
Monoisotopic Mass: 8.2
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]+	662.985726	189.8
[M+Na]+	684.967668	193.7
[M-H]-	660.971174	200.2
[M+NH4]+	680.012273	201.6
[M+K]+	700.941608	207.2
[M+H-H2O]+	644.975710	176.8
[M+HCOO]-	706.976651	208.6
[M+CH3COO]-	720.992301	258.7
[M+Na-2H]-	682.953116	191.4
[M]+	661.97790142	188.4
[M]-	661.97899858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.