CID 3043666

55916-21-7

Structural Information

Molecular Formula
C20H13BrO3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3(C(=O)C4=C(C3=O)C=C(C=C4)Br)CO
InChI
InChI=1S/C20H13BrO3/c21-15-7-8-16-17(10-15)19(24)20(11-22,18(16)23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,22H,11H2
InChIKey
NAUPLNAUWCTBOT-UHFFFAOYSA-N
Compound name
5-bromo-2-(hydroxymethyl)-2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.00482 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.01210 181.6
[M+Na]+ 402.99404 187.0
[M+NH4]+ 398.03864 188.0
[M+K]+ 418.96798 184.5
[M-H]- 378.99754 184.4
[M+Na-2H]- 400.97949 185.7
[M]+ 380.00427 182.3
[M]- 380.00537 182.3
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.