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 143.5
[M+Na]+ 232.99914 152.4
[M-H]- 209.00264 149.1
[M+NH4]+ 228.04374 162.9
[M+K]+ 248.97308 149.9
[M+H-H2O]+ 193.00718 138.1
[M+HCOO]- 255.00812 162.1
[M+CH3COO]- 269.02377 178.4
[M+Na-2H]- 230.98459 144.2
[M]+ 210.00937 143.0
[M]- 210.01047 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.