CID 5896949

Nsc636124

Structural Information

Molecular Formula
C11H8ClNO4
SMILES
COC1=CC=CC(=C1O)/C=C/2\C(=O)OC(=N2)Cl
InChI
InChI=1S/C11H8ClNO4/c1-16-8-4-2-3-6(9(8)14)5-7-10(15)17-11(12)13-7/h2-5,14H,1H3/b7-5+
InChIKey
DXKPCTNYZIXTET-FNORWQNLSA-N
Compound name
(4E)-2-chloro-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02147 150.6
[M+Na]+ 276.00341 161.8
[M-H]- 252.00691 156.3
[M+NH4]+ 271.04801 167.5
[M+K]+ 291.97735 158.2
[M+H-H2O]+ 236.01145 144.8
[M+HCOO]- 298.01239 168.1
[M+CH3COO]- 312.02804 187.8
[M+Na-2H]- 273.98886 153.9
[M]+ 253.01364 155.1
[M]- 253.01474 155.1
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.