CID 107380

5173-27-3

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

C1=CC(=CC=C1C(C(C2=CC=C(C=C2)O)O)O)O

InChI

InChI=1S/C14H14O4/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-18H

InChIKey

GRCDZLQANHNACB-UHFFFAOYSA-N

Compound name

1,2-bis(4-hydroxyphenyl)ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 27
Patents: 246.0892 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]+	247.09648	154.0
[M+Na]+	269.07842	159.7
[M-H]-	245.08192	155.6
[M+NH4]+	264.12302	168.2
[M+K]+	285.05236	155.9
[M+H-H2O]+	229.08646	147.6
[M+HCOO]-	291.08740	171.1
[M+CH3COO]-	305.10305	184.7
[M+Na-2H]-	267.06387	156.3
[M]+	246.08865	150.9
[M]-	246.08975	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe