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 133.3
[M+Na]+ 222.97686 144.0
[M-H]- 198.98036 135.4
[M+NH4]+ 218.02146 152.5
[M+K]+ 238.95080 140.1
[M+H-H2O]+ 182.98490 129.7
[M+HCOO]- 244.98584 151.1
[M+CH3COO]- 259.00149 177.9
[M+Na-2H]- 220.96231 137.6
[M]+ 199.98709 136.1
[M]- 199.98819 136.1
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

patents stripe