CID 139594151

Dpflca_5_n, n=3

Structural Information

Molecular Formula

C₁₁HF₁₉O₂

SMILES

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

InChI

InChI=1S/C11HF19O2/c12-1(2(13)5(16,17)9(24,25)11(28,29)30)4(14,15)7(20,21)10(26,27)8(22,23)6(18,19)3(31)32/h(H,31,32)/b2-1+

InChIKey

AGZBRDLKFIACID-OWOJBTEDSA-N

Compound name

(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,11-nonadecafluoroundec-7-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 525.9673 Da
Monoisotopic Mass: 5.6
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]+	526.974576	171.3
[M+Na]+	548.956518	177.6
[M-H]-	524.960024	181.5
[M+NH4]+	544.001123	182.9
[M+K]+	564.930458	186.7
[M+H-H2O]+	508.964560	162.0
[M+HCOO]-	570.965501	185.2
[M+CH3COO]-	584.981151	238.8
[M+Na-2H]-	546.941966	171.8
[M]+	525.96675142	167.6
[M]-	525.96784858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.