CID 520221

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

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

13
Patents

272.06488 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07216 163.1
[M+Na]+ 295.05410 175.4
[M+NH4]+ 290.09870 169.3
[M+K]+ 311.02804 168.1
[M-H]- 271.05760 163.7
[M+Na-2H]- 293.03955 169.8
[M]+ 272.06433 164.8
[M]- 272.06543 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe