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

14
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 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
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