CID 3054054

Bromo-4' (hydroxy-2 dioxo-1,3 indanyl-2)-2 propiophenone [french]

Structural Information

Molecular Formula
C18H13BrO4
SMILES
CC(C(=O)C1=CC=C(C=C1)Br)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C18H13BrO4/c1-10(15(20)11-6-8-12(19)9-7-11)18(23)16(21)13-4-2-3-5-14(13)17(18)22/h2-10,23H,1H3
InChIKey
RFCKUURZWQGCRD-UHFFFAOYSA-N
Compound name
2-[1-(4-bromophenyl)-1-oxopropan-2-yl]-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.99973 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00701 177.9
[M+Na]+ 394.98895 189.4
[M-H]- 370.99245 187.2
[M+NH4]+ 390.03355 197.7
[M+K]+ 410.96289 177.7
[M+H-H2O]+ 354.99699 178.3
[M+HCOO]- 416.99793 195.3
[M+CH3COO]- 431.01358 209.8
[M+Na-2H]- 392.97440 179.9
[M]+ 371.99918 197.5
[M]- 372.00028 197.5
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