CID 363178

Nsc627782

Structural Information

Molecular Formula
C22H14Br2O2
SMILES
C1CC2(C3=C(C=CC2=O)C=C(C=C3)Br)C4=C5C1=C(C=CC5=CC(=C4)Br)O
InChI
InChI=1S/C22H14Br2O2/c23-14-3-4-17-12(9-14)2-6-20(26)22(17)8-7-16-19(25)5-1-13-10-15(24)11-18(22)21(13)16/h1-6,9-11,25H,7-8H2
InChIKey
FTZYSBJVGFXWBT-UHFFFAOYSA-N
Compound name
5,6'-dibromo-9-hydroxyspiro[1,2-dihydrophenalene-3,1'-naphthalene]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.93604 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.94332 186.0
[M+Na]+ 490.92526 195.5
[M-H]- 466.92876 194.3
[M+NH4]+ 485.96986 203.0
[M+K]+ 506.89920 181.0
[M+H-H2O]+ 450.93330 192.7
[M+HCOO]- 512.93424 194.7
[M+CH3COO]- 526.94989 196.6
[M+Na-2H]- 488.91071 191.6
[M]+ 467.93549 218.4
[M]- 467.93659 218.4
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.