CID 88413

Ethylene disalicylate

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

C1=CC=C(C(=C1)C(=O)OCCOC(=O)C2=CC=CC=C2O)O

InChI

InChI=1S/C16H14O6/c17-13-7-3-1-5-11(13)15(19)21-9-10-22-16(20)12-6-2-4-8-14(12)18/h1-8,17-18H,9-10H2

InChIKey

FDXIVRQIMPXJGE-UHFFFAOYSA-N

Compound name

2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 302.07904 Da
Monoisotopic Mass: 3.8
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]+	303.086316	166.0
[M+Na]+	325.068258	172.1
[M-H]-	301.071764	170.1
[M+NH4]+	320.112863	179.1
[M+K]+	341.042198	169.7
[M+H-H2O]+	285.076300	158.2
[M+HCOO]-	347.077241	186.2
[M+CH3COO]-	361.092891	196.9
[M+Na-2H]-	323.053706	168.4
[M]+	302.07849142	168.6
[M]-	302.07958858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe