CID 251962

2,2'-bis(bromomethyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C14H12Br2
SMILES
C1=CC=C(C(=C1)CBr)C2=CC=CC=C2CBr
InChI
InChI=1S/C14H12Br2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8H,9-10H2
InChIKey
VDXGURZGBXUKES-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

349
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

literature stripe

Patent stripe

patents stripe