CID 16824

Tricamba

Structural Information

Molecular Formula

C₈H₅Cl₃O₃

SMILES

COC1=C(C(=C(C=C1Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)

InChIKey

WCLDITPGPXSPGV-UHFFFAOYSA-N

Compound name

2,3,5-trichloro-6-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9265
Patents: 253.93042 Da
Monoisotopic Mass: 2.8
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]+	254.93770	144.8
[M+Na]+	276.91964	159.5
[M+NH4]+	271.96424	152.8
[M+K]+	292.89358	153.0
[M-H]-	252.92314	145.5
[M+Na-2H]-	274.90509	150.5
[M]+	253.92987	147.9
[M]-	253.93097	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe