CID 123072

4,4'-difluorobenzil

Structural Information

Molecular Formula
C14H8F2O2
SMILES
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
BRKULQOUSCHDGS-UHFFFAOYSA-N
Compound name
1,2-bis(4-fluorophenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

480
Patents

246.04924 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.056516 149.4
[M+Na]+ 269.038458 157.9
[M-H]- 245.041964 153.9
[M+NH4]+ 264.083063 166.3
[M+K]+ 285.012398 154.0
[M+H-H2O]+ 229.046500 140.5
[M+HCOO]- 291.047441 170.4
[M+CH3COO]- 305.063091 193.8
[M+Na-2H]- 267.023906 152.4
[M]+ 246.04869142 147.2
[M]- 246.04978858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe