CID 520221

25650-13-9

Structural Information

Molecular Formula

C₁₆H₁₀F₂O₂

SMILES

C1=CC(=CC=C1C(=O)C=CC(=O)C2=CC=C(C=C2)F)F

InChI

InChI=1S/C16H10F2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-10H

InChIKey

OXUZAAMYHTYRBZ-UHFFFAOYSA-N

Compound name

1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 272.06488 Da
Monoisotopic Mass: 3.4
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]+	273.07216	157.7
[M+Na]+	295.05410	165.8
[M-H]-	271.05760	161.9
[M+NH4]+	290.09870	173.6
[M+K]+	311.02804	160.8
[M+H-H2O]+	255.06214	148.5
[M+HCOO]-	317.06308	178.3
[M+CH3COO]-	331.07873	198.3
[M+Na-2H]-	293.03955	159.7
[M]+	272.06433	155.5
[M]-	272.06543	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe