CID 11250692

Tetrakis(4-bromophenyl)methane

Structural Information

Molecular Formula
C25H16Br4
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
InChIKey
YBGIIZGNEOJSRF-UHFFFAOYSA-N
Compound name
1-bromo-4-[tris(4-bromophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

156
Patents

631.7985 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.805776 189.0
[M+Na]+ 654.787718 192.6
[M-H]- 630.791224 195.3
[M+NH4]+ 649.832323 195.9
[M+K]+ 670.761658 181.8
[M+H-H2O]+ 614.795760 207.1
[M+HCOO]- 676.796701 193.1
[M+CH3COO]- 690.812351 194.0
[M+Na-2H]- 652.773166 188.7
[M]+ 631.79795142 226.3
[M]- 631.79904858 226.3
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