CID 139595449

Dpas n=9

Structural Information

Molecular Formula

C₁₂HF₂₃O

SMILES

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

InChI

InChI=1S/C12HF23O/c13-1(2(14)4(17,18)19)3(15,16)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h36H/b2-1+

InChIKey

IRCBCQHSEHAVGL-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12,12-tricosafluorododec-10-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 597.966 Da
Monoisotopic Mass: 6.8
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]+	598.973276	181.6
[M+Na]+	620.955218	186.3
[M-H]-	596.958724	191.8
[M+NH4]+	615.999823	192.6
[M+K]+	636.929158	198.2
[M+H-H2O]+	580.963260	170.0
[M+HCOO]-	642.964201	196.4
[M+CH3COO]-	656.979851	249.3
[M+Na-2H]-	618.940666	182.6
[M]+	597.96545142	177.9
[M]-	597.96654858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.