CID 10131269

Losigamone

Structural Information

Molecular Formula
C12H11ClO4
SMILES
COC1=CC(=O)O[C@H]1[C@@H](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/t11-,12-/m1/s1
InChIKey
ICDNYWJQGWNLFP-VXGBXAGGSA-N
Compound name
(2S)-2-[(R)-(2-chlorophenyl)-hydroxymethyl]-3-methoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

38
References

507
Patents

254.03459 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.041866 152.1
[M+Na]+ 277.023808 161.5
[M-H]- 253.027314 158.9
[M+NH4]+ 272.068413 170.0
[M+K]+ 292.997748 158.7
[M+H-H2O]+ 237.031850 147.1
[M+HCOO]- 299.032791 169.6
[M+CH3COO]- 313.048441 189.2
[M+Na-2H]- 275.009256 154.6
[M]+ 254.03404142 156.4
[M]- 254.03513858 156.4
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