CID 3611718

2'-bromo-4,4''-bis-bromomethyl-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C20H15Br3
SMILES
C1=CC(=C(C(=C1)C2=CC=C(C=C2)CBr)Br)C3=CC=C(C=C3)CBr
InChI
InChI=1S/C20H15Br3/c21-12-14-4-8-16(9-5-14)18-2-1-3-19(20(18)23)17-10-6-15(13-22)7-11-17/h1-11H,12-13H2
InChIKey
MUMPWBXYWSNHDC-UHFFFAOYSA-N
Compound name
2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.87238 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.87966 170.8
[M+Na]+ 514.86160 177.1
[M-H]- 490.86510 179.2
[M+NH4]+ 509.90620 182.4
[M+K]+ 530.83554 162.7
[M+H-H2O]+ 474.86964 185.5
[M+HCOO]- 536.87058 180.5
[M+CH3COO]- 550.88623 180.3
[M+Na-2H]- 512.84705 173.8
[M]+ 491.87183 211.4
[M]- 491.87293 211.4
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

No patent data available for this compound.