CID 22324261

51719-69-8

Structural Information

Molecular Formula
C8H8Br2
SMILES
CC1=CC(=CC(=C1)Br)CBr
InChI
InChI=1S/C8H8Br2/c1-6-2-7(5-9)4-8(10)3-6/h2-4H,5H2,1H3
InChIKey
BDSMXYHHKXXZBN-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

261.8993 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90658 141.4
[M+Na]+ 284.88852 137.6
[M+NH4]+ 279.93312 144.3
[M+K]+ 300.86246 143.2
[M-H]- 260.89202 142.8
[M+Na-2H]- 282.87397 144.0
[M]+ 261.89875 140.3
[M]- 261.89985 140.3
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