CID 366925

Nsc636089

Structural Information

Molecular Formula
C11H9Cl2NO3
SMILES
C1=CC(=CN=C1)C(=O)CC2C(=C(C(O2)O)Cl)Cl
InChI
InChI=1S/C11H9Cl2NO3/c12-9-8(17-11(16)10(9)13)4-7(15)6-2-1-3-14-5-6/h1-3,5,8,11,16H,4H2
InChIKey
QMESPANNZLBEPE-UHFFFAOYSA-N
Compound name
2-(3,4-dichloro-5-hydroxy-2,5-dihydrofuran-2-yl)-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.99594 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00322 155.3
[M+Na]+ 295.98516 165.3
[M-H]- 271.98866 159.9
[M+NH4]+ 291.02976 171.4
[M+K]+ 311.95910 160.9
[M+H-H2O]+ 255.99320 149.8
[M+HCOO]- 317.99414 166.2
[M+CH3COO]- 332.00979 191.3
[M+Na-2H]- 293.97061 157.2
[M]+ 272.99539 159.1
[M]- 272.99649 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.