CID 15195999

121848-75-7

Structural Information

Molecular Formula
C28H16Br2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br
InChI
InChI=1S/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
InChIKey
NPNNLGXEAGTSRN-UHFFFAOYSA-N
Compound name
9-bromo-10-(10-bromoanthracen-9-yl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

509.96188 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.96916 203.0
[M+Na]+ 532.95110 213.3
[M-H]- 508.95460 214.1
[M+NH4]+ 527.99570 217.4
[M+K]+ 548.92504 199.0
[M+H-H2O]+ 492.95914 208.5
[M+HCOO]- 554.96008 215.4
[M+CH3COO]- 568.97573 213.3
[M+Na-2H]- 530.93655 209.4
[M]+ 509.96133 236.9
[M]- 509.96243 236.9
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