CID 14868

Tribromsalan

Structural Information

Molecular Formula

C₁₃H₈Br₃NO₂

SMILES

C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)Br)O)Br

InChI

InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)

InChIKey

KVSKGMLNBAPGKH-UHFFFAOYSA-N

Compound name

3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 36
References: 4348
Patents: 446.81052 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	447.81780	158.6
[M+Na]+	469.79974	164.9
[M-H]-	445.80324	164.7
[M+NH4]+	464.84434	170.4
[M+K]+	485.77368	149.4
[M+H-H2O]+	429.80778	171.9
[M+HCOO]-	491.80872	167.9
[M+CH3COO]-	505.82437	228.7
[M+Na-2H]-	467.78519	161.7
[M]+	446.80997	198.4
[M]-	446.81107	198.4

Literature stripe

literature stripe

Patent stripe

patents stripe