CID 60572

Losigamone

Structural Information

Molecular Formula

C₁₂H₁₁ClO₄

SMILES

COC1=CC(=O)OC1C(C2=CC=CC=C2Cl)O

InChI

InChI=1S/C12H11ClO4/c1-16-9-6-10(14)17-12(9)11(15)7-4-2-3-5-8(7)13/h2-6,11-12,15H,1H3

InChIKey

ICDNYWJQGWNLFP-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)-hydroxymethyl]-3-methoxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 495
Patents: 254.03459 Da
Monoisotopic Mass: 1.4
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]+	255.04187	152.1
[M+Na]+	277.02381	161.5
[M-H]-	253.02731	158.9
[M+NH4]+	272.06841	170.0
[M+K]+	292.99775	158.7
[M+H-H2O]+	237.03185	147.1
[M+HCOO]-	299.03279	169.6
[M+CH3COO]-	313.04844	189.2
[M+Na-2H]-	275.00926	154.6
[M]+	254.03404	156.4
[M]-	254.03514	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe