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

33
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 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

No literature data available for this compound.

Patent stripe

patents stripe