CID 317508

4-formyl-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H6O4
SMILES
C1=CC(=C(C=C1C(=O)O)O)C=O
InChI
InChI=1S/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12)
InChIKey
FDDHFCWYCKQKGY-UHFFFAOYSA-N
Compound name
4-formyl-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

166.02661 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03389 131.2
[M+Na]+ 189.01583 142.9
[M+NH4]+ 184.06043 137.9
[M+K]+ 204.98977 138.8
[M-H]- 165.01933 131.0
[M+Na-2H]- 187.00128 136.2
[M]+ 166.02606 132.5
[M]- 166.02716 132.5
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