CID 10070257

5'-bromo-1,1':3',1''-terphenyl

Structural Information

Molecular Formula
C18H13Br
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H
InChIKey
IOPQERQQZZREDR-UHFFFAOYSA-N
Compound name
1-bromo-3,5-diphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1157
Patents

308.02005 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02733 164.5
[M+Na]+ 331.00927 175.2
[M-H]- 307.01277 176.4
[M+NH4]+ 326.05387 182.6
[M+K]+ 346.98321 162.4
[M+H-H2O]+ 291.01731 163.2
[M+HCOO]- 353.01825 186.2
[M+CH3COO]- 367.03390 178.6
[M+Na-2H]- 328.99472 171.9
[M]+ 308.01950 181.7
[M]- 308.02060 181.7
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