CID 90097425

3,5-dibromo-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C18H12Br2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)Br)Br
InChI
InChI=1S/C18H12Br2/c19-17-10-16(11-18(20)12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKey
UKZGRDOECVLYML-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(4-phenylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

385.93057 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.93785 164.6
[M+Na]+ 408.91979 163.0
[M+NH4]+ 403.96439 167.9
[M+K]+ 424.89373 166.7
[M-H]- 384.92329 168.9
[M+Na-2H]- 406.90524 169.8
[M]+ 385.93002 164.9
[M]- 385.93112 164.9
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