CID 2775195

120695-78-5

Structural Information

Molecular Formula

C₆F₁₁I

SMILES

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

InChI

InChI=1S/C6F11I/c7-1(2(8)4(10,11)18)3(9,5(12,13)14)6(15,16)17/b2-1+

InChIKey

BJZGOHYMGKSXBU-OWOJBTEDSA-N

Compound name

(E)-1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 407.8869 Da
Monoisotopic Mass: 4.1
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]+	408.894176	152.6
[M+Na]+	430.876118	155.3
[M-H]-	406.879624	134.9
[M+NH4]+	425.920723	162.6
[M+K]+	446.850058	157.8
[M+H-H2O]+	390.884160	137.8
[M+HCOO]-	452.885101	153.1
[M+CH3COO]-	466.900751	209.8
[M+Na-2H]-	428.861566	142.9
[M]+	407.88635142	133.4
[M]-	407.88744858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe