CID 5054

Resorcinol

Structural Information

Molecular Formula

C₆H₆O₂

SMILES

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

InChI

InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

InChIKey

GHMLBKRAJCXXBS-UHFFFAOYSA-N

Compound name

benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1226
References: 54813
Patents: 110.03678 Da
Monoisotopic Mass: 0.8
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]+	111.04406	117.0
[M+Na]+	133.02600	125.8
[M-H]-	109.02950	118.7
[M+NH4]+	128.07060	138.8
[M+K]+	148.99994	123.9
[M+H-H2O]+	93.034040	112.7
[M+HCOO]-	155.03498	140.1
[M+CH3COO]-	169.05063	162.1
[M+Na-2H]-	131.01145	125.3
[M]+	110.03623	115.4
[M]-	110.03733	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe