CID 139595886

Dpas n=8

Structural Information

Molecular Formula

C₁₁HF₂₁O

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F

InChI

InChI=1S/C11HF21O/c12-1(2(13)4(16,17)18)3(14,15)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)33/h33H/b2-1+

InChIKey

LFJGBBBVTPKGLE-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,11,11-henicosafluoroundec-9-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 547.9692 Da
Monoisotopic Mass: 6.2
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]+	548.976476	173.6
[M+Na]+	570.958418	178.9
[M-H]-	546.961924	182.8
[M+NH4]+	566.003023	183.9
[M+K]+	586.932358	189.3
[M+H-H2O]+	530.966460	162.8
[M+HCOO]-	592.967401	188.8
[M+CH3COO]-	606.983051	242.7
[M+Na-2H]-	568.943866	174.3
[M]+	547.96865142	169.9
[M]-	547.96974858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.