CID 183356

5-chloro-3-formyl-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H5ClO4
SMILES
C1=C(C=C(C(=C1C=O)O)C(=O)O)Cl
InChI
InChI=1S/C8H5ClO4/c9-5-1-4(3-10)7(11)6(2-5)8(12)13/h1-3,11H,(H,12,13)
InChIKey
WLGGJFMFRKYMDF-UHFFFAOYSA-N
Compound name
5-chloro-3-formyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

199.98764 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99492 135.4
[M+Na]+ 222.97686 148.3
[M+NH4]+ 218.02146 142.4
[M+K]+ 238.95080 143.7
[M-H]- 198.98036 135.3
[M+Na-2H]- 220.96231 140.4
[M]+ 199.98709 137.3
[M]- 199.98819 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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