CID 4622641

1,1'-biphenyl, 3,3'-bis(bromomethyl)-

Structural Information

Molecular Formula
C14H12Br2
SMILES
C1=CC(=CC(=C1)C2=CC=CC(=C2)CBr)CBr
InChI
InChI=1S/C14H12Br2/c15-9-11-3-1-5-13(7-11)14-6-2-4-12(8-14)10-16/h1-8H,9-10H2
InChIKey
RAFYFUWHDWAUKS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-[3-(bromomethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

337.93057 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.937846 153.6
[M+Na]+ 360.919788 163.8
[M-H]- 336.923294 162.6
[M+NH4]+ 355.964393 171.6
[M+K]+ 376.893728 148.2
[M+H-H2O]+ 320.927830 161.7
[M+HCOO]- 382.928771 170.1
[M+CH3COO]- 396.944421 209.7
[M+Na-2H]- 358.905236 160.5
[M]+ 337.93002142 187.6
[M]- 337.93111858 187.6
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

patents stripe