CID 3044201

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

Structural Information

Molecular Formula
C17H13BrO2
SMILES
CCC1(C(=O)C2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C17H13BrO2/c1-2-17(11-6-4-3-5-7-11)15(19)13-9-8-12(18)10-14(13)16(17)20/h3-10H,2H2,1H3
InChIKey
ISVXNYGIWZDFQM-UHFFFAOYSA-N
Compound name
5-bromo-2-ethyl-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0099 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.01718 168.3
[M+Na]+ 350.99912 181.7
[M-H]- 327.00262 179.2
[M+NH4]+ 346.04372 191.1
[M+K]+ 366.97306 169.3
[M+H-H2O]+ 311.00716 168.7
[M+HCOO]- 373.00810 189.2
[M+CH3COO]- 387.02375 183.3
[M+Na-2H]- 348.98457 173.2
[M]+ 328.00935 188.5
[M]- 328.01045 188.5
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

No patent data available for this compound.