CID 135754393

Rhodanine, 5-furfurylidene-, 2-oxime

Structural Information

Molecular Formula
C8H6N2O3S
SMILES
C1=COC(=C1)/C=C/2\C(=O)N/C(=N\O)/S2
InChI
InChI=1S/C8H6N2O3S/c11-7-6(14-8(9-7)10-12)4-5-2-1-3-13-5/h1-4,12H,(H,9,10,11)/b6-4+
InChIKey
YZPLQXHXGWFQGB-GQCTYLIASA-N
Compound name
(2E,5E)-5-(furan-2-ylmethylidene)-2-hydroxyimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00992 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.017196 143.5
[M+Na]+ 232.999138 152.4
[M-H]- 209.002644 149.1
[M+NH4]+ 228.043743 162.9
[M+K]+ 248.973078 149.9
[M+H-H2O]+ 193.007180 138.1
[M+HCOO]- 255.008121 162.1
[M+CH3COO]- 269.023771 178.4
[M+Na-2H]- 230.984586 144.2
[M]+ 210.00937142 143.0
[M]- 210.01046858 143.0
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.