CID 53403404

2,6-dichloro-3-hydroxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H6Cl2O4
SMILES
COC1=CC(=C(C(=C1O)Cl)C(=O)O)Cl
InChI
InChI=1S/C8H6Cl2O4/c1-14-4-2-3(9)5(8(12)13)6(10)7(4)11/h2,11H,1H3,(H,12,13)
InChIKey
BTDZXJXFNSSUGR-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-hydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.971586 138.3
[M+Na]+ 258.953528 150.0
[M-H]- 234.957034 140.2
[M+NH4]+ 253.998133 157.0
[M+K]+ 274.927468 145.4
[M+H-H2O]+ 218.961570 136.0
[M+HCOO]- 280.962511 151.0
[M+CH3COO]- 294.978161 184.8
[M+Na-2H]- 256.938976 141.4
[M]+ 235.96376142 143.3
[M]- 235.96485858 143.3
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

No patent data available for this compound.