CID 53259689

9-(4-bromophenyl)-10-phenylphenanthrene

Structural Information

Molecular Formula
C26H17Br
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br
InChI
InChI=1S/C26H17Br/c27-20-16-14-19(15-17-20)26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H
InChIKey
KXPFJAIKSHJVTM-UHFFFAOYSA-N
Compound name
9-(4-bromophenyl)-10-phenylphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

408.05136 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05864 196.9
[M+Na]+ 431.04058 208.2
[M-H]- 407.04408 210.0
[M+NH4]+ 426.08518 212.5
[M+K]+ 447.01452 194.2
[M+H-H2O]+ 391.04862 193.6
[M+HCOO]- 453.04956 215.9
[M+CH3COO]- 467.06521 208.8
[M+Na-2H]- 429.02603 203.9
[M]+ 408.05081 214.9
[M]- 408.05191 214.9
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