CID 66791

2,4,6-tribromophenyl salicylate

Structural Information

Molecular Formula
C13H7Br3O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2Br)Br)Br)O
InChI
InChI=1S/C13H7Br3O3/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6,17H
InChIKey
VZWVHUUGXIFDKA-UHFFFAOYSA-N
Compound name
(2,4,6-tribromophenyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

447.79453 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.801806 155.5
[M+Na]+ 470.783748 162.5
[M-H]- 446.787254 161.9
[M+NH4]+ 465.828353 167.8
[M+K]+ 486.757688 148.0
[M+H-H2O]+ 430.791790 169.9
[M+HCOO]- 492.792731 164.7
[M+CH3COO]- 506.808381 227.1
[M+Na-2H]- 468.769196 158.9
[M]+ 447.79398142 196.8
[M]- 447.79507858 196.8
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