CID 12541265

2,2'-dibromo-4,4'-di-tert-butyl-biphenyl

Structural Information

Molecular Formula
C20H24Br2
SMILES
CC(C)(C)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)Br)Br
InChI
InChI=1S/C20H24Br2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h7-12H,1-6H3
InChIKey
GOLHJMJCRFQWNY-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

422.02448 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.03176 181.8
[M+Na]+ 445.01370 191.9
[M-H]- 421.01720 190.9
[M+NH4]+ 440.05830 197.7
[M+K]+ 460.98764 175.7
[M+H-H2O]+ 405.02174 189.3
[M+HCOO]- 467.02268 193.8
[M+CH3COO]- 481.03833 224.6
[M+Na-2H]- 442.99915 185.4
[M]+ 422.02393 216.6
[M]- 422.02503 216.6
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