CID 4279322

2'-bromo-4,4''-dimethyl-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C20H17Br
SMILES
CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)Br
InChI
InChI=1S/C20H17Br/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKey
SDZVPBQRSUWAJJ-UHFFFAOYSA-N
Compound name
2-bromo-1,3-bis(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.05136 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05864 173.0
[M+Na]+ 359.04058 184.5
[M-H]- 335.04408 185.2
[M+NH4]+ 354.08518 190.7
[M+K]+ 375.01452 171.4
[M+H-H2O]+ 319.04862 171.4
[M+HCOO]- 381.04956 194.0
[M+CH3COO]- 395.06521 186.9
[M+Na-2H]- 357.02603 178.0
[M]+ 336.05081 191.5
[M]- 336.05191 191.5
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