CID 135754393

5-furfurylidenerhodanine-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]+ 211.01720 145.5
[M+Na]+ 232.99914 153.9
[M+NH4]+ 228.04374 152.3
[M+K]+ 248.97308 151.4
[M-H]- 209.00264 147.7
[M+Na-2H]- 230.98459 148.1
[M]+ 210.00937 147.2
[M]- 210.01047 147.2
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.