CID 12173629

2,8-dibromoindeno[1,2-b]fluorene-6,12-dione

Structural Information

Molecular Formula
C20H8Br2O2
SMILES
C1=CC2=C(C=C1Br)C(=O)C3=CC4=C(C=C23)C(=O)C5=C4C=CC(=C5)Br
InChI
InChI=1S/C20H8Br2O2/c21-9-1-3-11-13-7-18-14(8-17(13)19(23)15(11)5-9)12-4-2-10(22)6-16(12)20(18)24/h1-8H
InChIKey
PFFSYBJLQOJRQU-UHFFFAOYSA-N
Compound name
2,8-dibromoindeno[1,2-b]fluorene-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

437.8891 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.89638 182.4
[M+Na]+ 460.87832 197.8
[M-H]- 436.88182 194.0
[M+NH4]+ 455.92292 203.5
[M+K]+ 476.85226 183.6
[M+H-H2O]+ 420.88636 191.4
[M+HCOO]- 482.88730 199.9
[M+CH3COO]- 496.90295 196.7
[M+Na-2H]- 458.86377 187.3
[M]+ 437.88855 221.5
[M]- 437.88965 221.5
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