CID 135

4-hydroxybenzoic acid

Structural Information

Molecular Formula

C₇H₆O₃

SMILES

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

InChI

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

InChIKey

FJKROLUGYXJWQN-UHFFFAOYSA-N

Compound name

4-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1496
References: 100698
Patents: 138.0317 Da
Monoisotopic Mass: 1.6
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]+	139.03898	123.7
[M+Na]+	161.02092	132.0
[M-H]-	137.02442	125.3
[M+NH4]+	156.06552	144.1
[M+K]+	176.99486	130.3
[M+H-H2O]+	121.02896	119.0
[M+HCOO]-	183.02990	145.9
[M+CH3COO]-	197.04555	167.2
[M+Na-2H]-	159.00637	130.1
[M]+	138.03115	122.5
[M]-	138.03225	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe