CID 7927

1,3-dibromobenzene

Structural Information

Molecular Formula
C6H4Br2
SMILES
C1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
JSRLURSZEMLAFO-UHFFFAOYSA-N
Compound name
1,3-dibromobenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

14771
Patents

233.86798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.87526 125.9
[M+Na]+ 256.85720 137.6
[M-H]- 232.86070 133.1
[M+NH4]+ 251.90180 147.3
[M+K]+ 272.83114 122.9
[M+H-H2O]+ 216.86524 134.9
[M+HCOO]- 278.86618 143.4
[M+CH3COO]- 292.88183 194.1
[M+Na-2H]- 254.84265 135.4
[M]+ 233.86743 159.3
[M]- 233.86853 159.3
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