CID 70008

Iodopentafluorobenzene

Structural Information

Molecular Formula

SMILES

C1(=C(C(=C(C(=C1F)F)I)F)F)F

InChI

InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

OPYHNLNYCRZOGY-UHFFFAOYSA-N

Compound name

1,2,3,4,5-pentafluoro-6-iodobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 700
Patents: 293.89648 Da
Monoisotopic Mass: 3.1
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]+	294.90376	127.5
[M+Na]+	316.88570	133.5
[M-H]-	292.88920	119.7
[M+NH4]+	311.93030	143.4
[M+K]+	332.85964	136.0
[M+H-H2O]+	276.89374	115.6
[M+HCOO]-	338.89468	142.7
[M+CH3COO]-	352.91033	193.4
[M+Na-2H]-	314.87115	119.4
[M]+	293.89593	120.3
[M]-	293.89703	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe