CID 1714363

124419-91-6

Structural Information

Molecular Formula
C27H21Br
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)Br
InChI
InChI=1S/C27H21Br/c28-27(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H
InChIKey
IJBFZBIRKHXQBQ-UHFFFAOYSA-N
Compound name
(2-bromo-1,3,3-triphenylprop-1-enyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.08267 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08995 201.1
[M+Na]+ 447.07189 206.0
[M-H]- 423.07539 213.5
[M+NH4]+ 442.11649 212.7
[M+K]+ 463.04583 192.6
[M+H-H2O]+ 407.07993 197.7
[M+HCOO]- 469.08087 217.7
[M+CH3COO]- 483.09652 210.6
[M+Na-2H]- 445.05734 203.4
[M]+ 424.08212 214.7
[M]- 424.08322 214.7
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

No patent data available for this compound.