CID 198340

2,5-dibromo-2-(2-naphthyl)-1,3-indandione

Structural Information

Molecular Formula
C19H10Br2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3(C(=O)C4=C(C3=O)C=C(C=C4)Br)Br
InChI
InChI=1S/C19H10Br2O2/c20-14-7-8-15-16(10-14)18(23)19(21,17(15)22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKey
RNNKTKUZYMFOBY-UHFFFAOYSA-N
Compound name
2,5-dibromo-2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.90475 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.91203 177.0
[M+Na]+ 450.89397 189.0
[M-H]- 426.89747 188.1
[M+NH4]+ 445.93857 196.6
[M+K]+ 466.86791 174.1
[M+H-H2O]+ 410.90201 185.5
[M+HCOO]- 472.90295 191.7
[M+CH3COO]- 486.91860 190.1
[M+Na-2H]- 448.87942 181.8
[M]+ 427.90420 211.9
[M]- 427.90530 211.9
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.