CID 122366640

(2-(3-bromophenyl)ethene-1,1,2-triyl)tribenzene

Structural Information

Molecular Formula
C26H19Br
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C26H19Br/c27-24-18-10-17-23(19-24)26(22-15-8-3-9-16-22)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-19H
InChIKey
NBGYCGNBWNHVBV-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,2,2-triphenylethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

410.06702 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.07430 196.5
[M+Na]+ 433.05624 203.2
[M-H]- 409.05974 209.6
[M+NH4]+ 428.10084 209.2
[M+K]+ 449.03018 189.5
[M+H-H2O]+ 393.06428 193.4
[M+HCOO]- 455.06522 214.6
[M+CH3COO]- 469.08087 207.0
[M+Na-2H]- 431.04169 199.9
[M]+ 410.06647 210.9
[M]- 410.06757 210.9
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

patents stripe