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

477
Patents

254.03459 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04187 151.5
[M+Na]+ 277.02381 164.5
[M+NH4]+ 272.06841 159.3
[M+K]+ 292.99775 161.0
[M-H]- 253.02731 155.1
[M+Na-2H]- 275.00926 157.1
[M]+ 254.03404 154.6
[M]- 254.03514 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe