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]+ 338.93785 153.6
[M+Na]+ 360.91979 163.8
[M-H]- 336.92329 162.6
[M+NH4]+ 355.96439 171.6
[M+K]+ 376.89373 148.2
[M+H-H2O]+ 320.92783 161.7
[M+HCOO]- 382.92877 170.1
[M+CH3COO]- 396.94442 209.7
[M+Na-2H]- 358.90524 160.5
[M]+ 337.93002 187.6
[M]- 337.93112 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