CID 3611718

154488-09-2

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 170.5
[M+Na]+ 514.86160 164.7
[M+NH4]+ 509.90620 172.0
[M+K]+ 530.83554 171.5
[M-H]- 490.86510 173.8
[M+Na-2H]- 512.84705 172.8
[M]+ 491.87183 170.6
[M]- 491.87293 170.6
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.