CID 2844775

3564-71-4

Structural Information

Molecular Formula
C24H10Br2O2
SMILES
C1=CC2=C(C=C1Br)C(=O)C3=CC=C4C5=C(C=C(C=C5)Br)C(=O)C6=C4C3=C2C=C6
InChI
InChI=1S/C24H10Br2O2/c25-11-1-3-13-15-5-7-18-22-16(14-4-2-12(26)10-20(14)24(18)28)6-8-17(21(15)22)23(27)19(13)9-11/h1-10H
InChIKey
SMLJXADQTZYMKX-UHFFFAOYSA-N
Compound name
5,16-dibromohexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

487.90475 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.91203 189.6
[M+Na]+ 510.89397 199.2
[M-H]- 486.89747 197.9
[M+NH4]+ 505.93857 205.8
[M+K]+ 526.86791 185.8
[M+H-H2O]+ 470.90201 195.0
[M+HCOO]- 532.90295 198.0
[M+CH3COO]- 546.91860 199.9
[M+Na-2H]- 508.87942 195.4
[M]+ 487.90420 223.6
[M]- 487.90530 223.6
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