CID 2775181

3-iodopentafluoropropene-1

Structural Information

Molecular Formula

SMILES

C(=C(F)F)(C(F)(F)I)F

InChI

InChI=1S/C3F5I/c4-1(2(5)6)3(7,8)9

InChIKey

HXUXNHPLNYUXPO-UHFFFAOYSA-N

Compound name

1,1,2,3,3-pentafluoro-3-iodoprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 257.89648 Da
Monoisotopic Mass: 2.2
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]+	258.90376	125.2
[M+Na]+	280.88570	127.0
[M-H]-	256.88920	113.4
[M+NH4]+	275.93030	141.2
[M+K]+	296.85964	131.6
[M+H-H2O]+	240.89374	114.2
[M+HCOO]-	302.89468	136.6
[M+CH3COO]-	316.91033	184.5
[M+Na-2H]-	278.87115	117.2
[M]+	257.89593	114.7
[M]-	257.89703	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe