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

309
Patents

166.02661 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.033886 129.1
[M+Na]+ 189.015828 138.1
[M-H]- 165.019334 130.9
[M+NH4]+ 184.060433 148.5
[M+K]+ 204.989768 136.1
[M+H-H2O]+ 149.023870 124.2
[M+HCOO]- 211.024811 151.3
[M+CH3COO]- 225.040461 172.7
[M+Na-2H]- 187.001276 134.4
[M]+ 166.02606142 129.5
[M]- 166.02715858 129.5
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