CID 12279

1,3,5-tribromobenzene

Structural Information

Molecular Formula
C6H3Br3
SMILES
C1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
YWDUZLFWHVQCHY-UHFFFAOYSA-N
Compound name
1,3,5-tribromobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

4613
Patents

311.7785 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.78578 147.4
[M+Na]+ 334.76772 140.8
[M+NH4]+ 329.81232 148.9
[M+K]+ 350.74166 149.1
[M-H]- 310.77122 149.4
[M+Na-2H]- 332.75317 149.4
[M]+ 311.77795 146.9
[M]- 311.77905 146.9
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