CID 69335

1,4-bis(bromomethyl)benzene

Structural Information

Molecular Formula
C8H8Br2
SMILES
C1=CC(=CC=C1CBr)CBr
InChI
InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
InChIKey
RBZMSGOBSOCYHR-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

5010
Patents

261.8993 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90658 142.1
[M+Na]+ 284.88852 138.0
[M+NH4]+ 279.93312 144.9
[M+K]+ 300.86246 143.5
[M-H]- 260.89202 143.4
[M+Na-2H]- 282.87397 144.7
[M]+ 261.89875 140.9
[M]- 261.89985 140.9
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