CID 110245

Benzoic acid, 3,4,6-trichloro-2-hydroxy-

Structural Information

Molecular Formula
C7H3Cl3O3
SMILES
C1=C(C(=C(C(=C1Cl)Cl)O)C(=O)O)Cl
InChI
InChI=1S/C7H3Cl3O3/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1,11H,(H,12,13)
InChIKey
HXFHVXQDAWYFMP-UHFFFAOYSA-N
Compound name
3,4,6-trichloro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.91478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.922056 136.7
[M+Na]+ 262.903998 148.6
[M-H]- 238.907504 137.5
[M+NH4]+ 257.948603 155.1
[M+K]+ 278.877938 142.8
[M+H-H2O]+ 222.912040 135.5
[M+HCOO]- 284.912981 144.0
[M+CH3COO]- 298.928631 185.3
[M+Na-2H]- 260.889446 139.3
[M]+ 239.91423142 139.8
[M]- 239.91532858 139.8
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