CID 102051058

2h,8h,8h-2-pfudoa

Structural Information

Molecular Formula

C₁₂H₄F₁₈O₂

SMILES

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

InChI

InChI=1S/C12H4F18O2/c13-3(1-4(31)32)7(18,19)10(24,25)8(20,21)5(14,15)2-6(16,17)9(22,23)11(26,27)12(28,29)30/h1H,2H2,(H,31,32)/b3-1-

InChIKey

RMYPQKNLXUXTFZ-IWQZZHSRSA-N

Compound name

(Z)-3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,12-octadecafluorododec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 521.9924 Da
Monoisotopic Mass: 6.1
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]+	522.999676	170.9
[M+Na]+	544.981618	176.8
[M-H]-	520.985124	179.7
[M+NH4]+	540.026223	181.3
[M+K]+	560.955558	185.5
[M+H-H2O]+	504.989660	160.9
[M+HCOO]-	566.990601	186.7
[M+CH3COO]-	581.006251	238.3
[M+Na-2H]-	542.967066	170.5
[M]+	521.99185142	167.9
[M]-	521.99294858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.