CID 77492

3883-86-1

Structural Information

Molecular Formula

C₁₂H₂F₈

SMILES

C1=C(C(=C(C(=C1F)F)C2=C(C(=CC(=C2F)F)F)F)F)F

InChI

InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H

InChIKey

QWCHHUZAAGRHDB-UHFFFAOYSA-N

Compound name

1,2,4,5-tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 119
Patents: 298.00287 Da
Monoisotopic Mass: 4.4
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]+	299.01015	153.0
[M+Na]+	320.99209	168.3
[M-H]-	296.99559	151.7
[M+NH4]+	316.03669	169.4
[M+K]+	336.96603	161.4
[M+H-H2O]+	281.00013	140.0
[M+HCOO]-	343.00107	169.0
[M+CH3COO]-	357.01672	208.0
[M+Na-2H]-	318.97754	151.4
[M]+	298.00232	145.0
[M]-	298.00342	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe