CID 10175

Cotoin

Structural Information

Molecular Formula

C₁₄H₁₂O₄

SMILES

COC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H12O4/c1-18-10-7-11(15)13(12(16)8-10)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3

InChIKey

HNJZOHHIXSIJFG-UHFFFAOYSA-N

Compound name

(2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 248
Patents: 244.07356 Da
Monoisotopic Mass: 3.1
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]+	245.080836	151.6
[M+Na]+	267.062778	159.8
[M-H]-	243.066284	156.4
[M+NH4]+	262.107383	167.7
[M+K]+	283.036718	156.5
[M+H-H2O]+	227.070820	144.8
[M+HCOO]-	289.071761	173.0
[M+CH3COO]-	303.087411	188.9
[M+Na-2H]-	265.048226	155.4
[M]+	244.07301142	152.6
[M]-	244.07410858	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe