CID 14452534

4-bromo-m-terphenyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
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 160.1
[M+Na]+ 331.00927 168.7
[M+NH4]+ 326.05387 167.3
[M+K]+ 346.98321 164.6
[M-H]- 307.01277 166.6
[M+Na-2H]- 328.99472 170.2
[M]+ 308.01950 162.5
[M]- 308.02060 162.5
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