CID 1207359

5-(4-fluorobenzylidene)rhodanine

Structural Information

Molecular Formula
C10H6FNOS2
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=S)S2)F
InChI
InChI=1S/C10H6FNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKey
BQOQSIQMDZUHKF-YVMONPNESA-N
Compound name
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

238.98749 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.99477 146.9
[M+Na]+ 261.97671 157.3
[M-H]- 237.98021 150.2
[M+NH4]+ 257.02131 165.5
[M+K]+ 277.95065 150.2
[M+H-H2O]+ 221.98475 140.8
[M+HCOO]- 283.98569 157.0
[M+CH3COO]- 298.00134 158.8
[M+Na-2H]- 259.96216 144.3
[M]+ 238.98694 144.3
[M]- 238.98804 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe