CID 69226

5-formylsalicylic acid

Structural Information

Molecular Formula

C₈H₆O₄

SMILES

C1=CC(=C(C=C1C=O)C(=O)O)O

InChI

InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)

InChIKey

UTCFOFWMEPQCSR-UHFFFAOYSA-N

Compound name

5-formyl-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 1258
Patents: 166.02661 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe