CID 3653117

3-chloro-2,6-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H5ClO4
SMILES
C1=CC(=C(C(=C1O)C(=O)O)O)Cl
InChI
InChI=1S/C7H5ClO4/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2,9-10H,(H,11,12)
InChIKey
DSGFVWJTKIEIDU-UHFFFAOYSA-N
Compound name
3-chloro-2,6-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

187.98764 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99492 132.3
[M+Na]+ 210.97686 144.7
[M+NH4]+ 206.02146 139.3
[M+K]+ 226.95080 140.7
[M-H]- 186.98036 131.8
[M+Na-2H]- 208.96231 137.0
[M]+ 187.98709 134.0
[M]- 187.98819 134.0
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