CID 3044200

2-bromo-5-fluoro-2-phenyl-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C15H8BrFO2
SMILES
C1=CC=C(C=C1)C2(C(=O)C3=C(C2=O)C=C(C=C3)F)Br
InChI
InChI=1S/C15H8BrFO2/c16-15(9-4-2-1-3-5-9)13(18)11-7-6-10(17)8-12(11)14(15)19/h1-8H
InChIKey
PELWKGIKNMKGBS-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.96918 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.97646 163.4
[M+Na]+ 340.95840 177.8
[M-H]- 316.96190 173.3
[M+NH4]+ 336.00300 186.5
[M+K]+ 356.93234 165.3
[M+H-H2O]+ 300.96644 163.2
[M+HCOO]- 362.96738 184.0
[M+CH3COO]- 376.98303 178.6
[M+Na-2H]- 338.94385 168.7
[M]+ 317.96863 182.0
[M]- 317.96973 182.0
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

No patent data available for this compound.