CID 292152

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

Structural Information

Molecular Formula
C24H17Br
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C24H17Br/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H
InChIKey
JQAGNDRJKSDTEU-UHFFFAOYSA-N
Compound name
2-bromo-1,3,5-triphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

94
Patents

384.05136 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05864 188.2
[M+Na]+ 407.04058 197.9
[M-H]- 383.04408 202.3
[M+NH4]+ 402.08518 202.8
[M+K]+ 423.01452 184.2
[M+H-H2O]+ 367.04862 185.3
[M+HCOO]- 429.04956 208.7
[M+CH3COO]- 443.06521 200.5
[M+Na-2H]- 405.02603 193.5
[M]+ 384.05081 204.6
[M]- 384.05191 204.6
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