CID 75923

2708-97-6

Structural Information

Molecular Formula

C₆F₄I₂

SMILES

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

InChI

InChI=1S/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

JQBYIZAYQMMVTO-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrafluoro-5,6-diiodobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 401.80255 Da
Monoisotopic Mass: 3.6
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]+	402.80983	129.3
[M+Na]+	424.79177	126.8
[M-H]-	400.79527	118.2
[M+NH4]+	419.83637	139.0
[M+K]+	440.76571	135.6
[M+H-H2O]+	384.79981	116.4
[M+HCOO]-	446.80075	139.3
[M+CH3COO]-	460.81640	207.0
[M+Na-2H]-	422.77722	116.4
[M]+	401.80200	121.9
[M]-	401.80310	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe