CID 12002

1,2,4-tribromobenzene

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

8
References

1272
Patents

311.7785 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.78578 130.4
[M+Na]+ 334.76772 139.4
[M-H]- 310.77122 136.4
[M+NH4]+ 329.81232 146.7
[M+K]+ 350.74166 124.5
[M+H-H2O]+ 294.77576 146.0
[M+HCOO]- 356.77670 141.7
[M+CH3COO]- 370.79235 215.6
[M+Na-2H]- 332.75317 137.4
[M]+ 311.77795 171.0
[M]- 311.77905 171.0
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