CID 3025235

4-chloro-3,5-dihydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

187.98764 Da
Monoisotopic Mass

1.7
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

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Patent stripe

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