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]+ 236.97159 138.3
[M+Na]+ 258.95353 150.0
[M-H]- 234.95703 140.2
[M+NH4]+ 253.99813 157.0
[M+K]+ 274.92747 145.4
[M+H-H2O]+ 218.96157 136.0
[M+HCOO]- 280.96251 151.0
[M+CH3COO]- 294.97816 184.8
[M+Na-2H]- 256.93898 141.4
[M]+ 235.96376 143.3
[M]- 235.96486 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.