CID 12455998

4,4''-dibromo-p-terphenyl

Structural Information

Molecular Formula
C18H12Br2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H12Br2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
InChIKey
VAIPJQIPFPRJKJ-UHFFFAOYSA-N
Compound name
1,4-bis(4-bromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

385.93057 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.93785 166.3
[M+Na]+ 408.91979 176.2
[M-H]- 384.92329 177.6
[M+NH4]+ 403.96439 182.4
[M+K]+ 424.89373 160.7
[M+H-H2O]+ 368.92783 173.9
[M+HCOO]- 430.92877 182.5
[M+CH3COO]- 444.94442 179.3
[M+Na-2H]- 406.90524 172.4
[M]+ 385.93002 199.4
[M]- 385.93112 199.4
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