CID 630263

Octafluoro-4,4'-biphenol

Structural Information

Molecular Formula

C₁₂H₂F₈O₂

SMILES

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

InChI

InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H

InChIKey

MOFZHBRFFAIMKM-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 349
Patents: 329.9927 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]+	330.99998	160.4
[M+Na]+	352.98192	176.2
[M-H]-	328.98542	157.1
[M+NH4]+	348.02652	174.4
[M+K]+	368.95586	169.1
[M+H-H2O]+	312.98996	148.0
[M+HCOO]-	374.99090	173.7
[M+CH3COO]-	389.00655	210.0
[M+Na-2H]-	350.96737	156.4
[M]+	329.99215	152.4
[M]-	329.99325	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe