CID 86688372

9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-dibenzo[c,g]chromen-8(9h)-one

Structural Information

Molecular Formula
C19H14Br2O3
SMILES
C1CC2=CC3=C(C=C2C(=O)C1Br)OCC4=C3C=CC(=C4)C(=O)CBr
InChI
InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2
InChIKey
NVSLOKHCHIFJDR-UHFFFAOYSA-N
Compound name
9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

447.93097 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.93825 179.1
[M+Na]+ 470.92019 187.6
[M-H]- 446.92369 187.3
[M+NH4]+ 465.96479 194.3
[M+K]+ 486.89413 174.4
[M+H-H2O]+ 430.92823 186.3
[M+HCOO]- 492.92917 187.7
[M+CH3COO]- 506.94482 190.0
[M+Na-2H]- 468.90564 183.7
[M]+ 447.93042 212.3
[M]- 447.93152 212.3
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