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

15
Patents

239.91478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92206 136.7
[M+Na]+ 262.90400 148.6
[M-H]- 238.90750 137.5
[M+NH4]+ 257.94860 155.1
[M+K]+ 278.87794 142.8
[M+H-H2O]+ 222.91204 135.5
[M+HCOO]- 284.91298 144.0
[M+CH3COO]- 298.92863 185.3
[M+Na-2H]- 260.88945 139.3
[M]+ 239.91423 139.8
[M]- 239.91533 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