CID 67949

Decafluorobiphenyl

Structural Information

Molecular Formula

C₁₂F₁₀

SMILES

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

InChI

InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

InChIKey

ONUFSRWQCKNVSL-UHFFFAOYSA-N

Compound name

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 5558
Patents: 333.98404 Da
Monoisotopic Mass: 4.6
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]+	334.99132	159.6
[M+Na]+	356.97326	176.6
[M-H]-	332.97676	156.4
[M+NH4]+	352.01786	174.7
[M+K]+	372.94720	168.9
[M+H-H2O]+	316.98130	145.2
[M+HCOO]-	378.98224	173.2
[M+CH3COO]-	392.99789	216.3
[M+Na-2H]-	354.95871	155.3
[M]+	333.98349	149.7
[M]-	333.98459	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe