CID 621238

4,4'-bis(bromomethyl)biphenyl

Structural Information

Molecular Formula
C14H12Br2
SMILES
C1=CC(=CC=C1CBr)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey
HMUGRILXVBKBID-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

726
Patents

337.93057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.93785 156.3
[M+Na]+ 360.91979 153.3
[M+NH4]+ 355.96439 159.3
[M+K]+ 376.89373 157.8
[M-H]- 336.92329 159.1
[M+Na-2H]- 358.90524 160.1
[M]+ 337.93002 155.8
[M]- 337.93112 155.8
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